(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

C14H26N2O3 — CID 63830703

IUPAC(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(12(17)18)16-13(19)15-9-14(3)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyLNLDSHKNNMPOHX-NSHDSACASA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

About (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid

(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (PubChem CID 63830703) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
PubChem CID63830703
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)NCC1(C)CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(12(17)18)16-13(19)15-9-14(3)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChIKeyLNLDSHKNNMPOHX-NSHDSACASA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic 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)-5-amino-2-[(1-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830897
2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 113364459
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid (CID 63830703) is (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is CC(C)C[C@H](NC(=O)NCC1(C)CCCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is LNLDSHKNNMPOHX-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-11(12(17)18)16-13(19)15-9-14(3)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid?
(2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-methylcyclopentyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 63830703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).