(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid

C19H31N3O6 — CID 134490483

IUPAC(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C19H31N3O6/c1-12(2)11-28-19(27)22-10-6-8-15(22)17(24)21-9-5-4-7-14(21)16(23)20-13(3)18(25)26/h12-15H,4-11H2,1-3H3,(H,20,23)(H,25,26)/t13-,14-,15-/m0/s1
InChIKeyALLBTOQHZBIVOD-KKUMJFAQSA-N
MW397.47 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid

(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid (PubChem CID 134490483) has the molecular formula C19H31N3O6 and a molecular weight of 397.47 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
PubChem CID134490483
Molecular FormulaC19H31N3O6
Molecular Weight397.47 g/mol
Exact Mass397.22
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
SMILESCC(C)COC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C19H31N3O6/c1-12(2)11-28-19(27)22-10-6-8-15(22)17(24)21-9-5-4-7-14(21)16(23)20-13(3)18(25)26/h12-15H,4-11H2,1-3H3,(H,20,23)(H,25,26)/t13-,14-,15-/m0/s1
InChIKeyALLBTOQHZBIVOD-KKUMJFAQSA-N
XLogP1.21
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic 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

1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
(2S)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 71351596
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
(2R)-2-[[(2R)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 71420830
2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 61176281
(2S)-2-[[(2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 175971296
(2S)-2-[[1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carbonyl]amino]propanoic acid
CID 6351223
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
sodium tris[[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]oxy]boranuide
CID 131719405
tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride
CID 158483435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid (CID 134490483) is (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid is CC(C)COC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid?
The InChIKey is ALLBTOQHZBIVOD-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H31N3O6/c1-12(2)11-28-19(27)22-10-6-8-15(22)17(24)21-9-5-4-7-14(21)16(23)20-13(3)18(25)26/h12-15H,4-11H2,1-3H3,(H,20,23)(H,25,26)/t13-,14-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid?
(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid has a molecular weight of 397.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 134490483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).