(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid

C24H43N3O6 — CID 177306387

IUPAC(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C24H43N3O6/c1-15(2)13-17(21(29)27-12-10-9-11-18(27)22(30)31)25-20(28)19(14-16(3)4)26(8)23(32)33-24(5,6)7/h15-19H,9-14H2,1-8H3,(H,25,28)(H,30,31)/t17-,18+,19-/m0/s1
InChIKeyOEUJZLWAJFSROY-OTWHNJEPSA-N
MW469.62 g/mol
LogP3.26
Rot. Bonds9

About (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid

(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid (PubChem CID 177306387) has the molecular formula C24H43N3O6 and a molecular weight of 469.62 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid
PubChem CID177306387
Molecular FormulaC24H43N3O6
Molecular Weight469.62 g/mol
Exact Mass469.32
IUPAC Name(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C24H43N3O6/c1-15(2)13-17(21(29)27-12-10-9-11-18(27)22(30)31)25-20(28)19(14-16(3)4)26(8)23(32)33-24(5,6)7/h15-19H,9-14H2,1-8H3,(H,25,28)(H,30,31)/t17-,18+,19-/m0/s1
InChIKeyOEUJZLWAJFSROY-OTWHNJEPSA-N
XLogP3.26
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 174204036
1-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18247916
(2R)-4-cyclopropyl-1-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]piperazine-2-carboxylic acid
CID 171058573
1-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18236759
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 56960027
tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 10715003
1-[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 3812419
1-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18248314
1-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 22652291
1-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 22658275
1-[1-[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 18295694
tert-butyl N-[(2R)-1-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7216765

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid (CID 177306387) is (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid is CC(C)C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid?
The InChIKey is OEUJZLWAJFSROY-OTWHNJEPSA-N. The full InChI is InChI=1S/C24H43N3O6/c1-15(2)13-17(21(29)27-12-10-9-11-18(27)22(30)31)25-20(28)19(14-16(3)4)26(8)23(32)33-24(5,6)7/h15-19H,9-14H2,1-8H3,(H,25,28)(H,30,31)/t17-,18+,19-/m0/s1.
What are the key properties of (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid?
(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid has a molecular weight of 469.62 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]pentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 177306387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).