1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 104903843

IUPAC1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)5-3-4-6-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFCPLOQRZXTVVNY-SNVBAGLBSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds6

About 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 104903843) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID104903843
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)5-3-4-6-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFCPLOQRZXTVVNY-SNVBAGLBSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436421
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 104903843) is 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid is CC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FCPLOQRZXTVVNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)5-3-4-6-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104903843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).