(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid

C19H34N2O5 — CID 174204036

IUPAC(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-7-20(18(25)26-19(4,5)6)15(12-13(2)3)16(22)21-11-9-8-10-14(21)17(23)24/h13-15H,7-12H2,1-6H3,(H,23,24)/t14-,15?/m1/s1
InChIKeyBCMGPVNTBHFVMV-GICMACPYSA-N
MW370.49 g/mol
LogP3.12
Rot. Bonds6

About (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid

(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid (PubChem CID 174204036) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid
PubChem CID174204036
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Name(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-7-20(18(25)26-19(4,5)6)15(12-13(2)3)16(22)21-11-9-8-10-14(21)17(23)24/h13-15H,7-12H2,1-6H3,(H,23,24)/t14-,15?/m1/s1
InChIKeyBCMGPVNTBHFVMV-GICMACPYSA-N
XLogP3.12
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

(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
N-cyclohexylcyclohexanamine;(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoic acid
CID 56777321
(2R)-4-cyclopropyl-1-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]piperazine-2-carboxylic acid
CID 171058573
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-[(2R)-2-amino-4-methylpentanoyl]azepane-2-carboxylic acid
CID 103871063
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
(2R)-4-(2-methoxyethyl)-1-[4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]piperazine-2-carboxylic acid;hydrochloride
CID 175481485
1-[butan-2-yl(ethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199849

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid (CID 174204036) is (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid is CCN(C(=O)OC(C)(C)C)C(CC(C)C)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid?
The InChIKey is BCMGPVNTBHFVMV-GICMACPYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-7-20(18(25)26-19(4,5)6)15(12-13(2)3)16(22)21-11-9-8-10-14(21)17(23)24/h13-15H,7-12H2,1-6H3,(H,23,24)/t14-,15?/m1/s1.
What are the key properties of (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 174204036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).