(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid

C12H22N2O3 — CID 107566972

IUPAC(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCC1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-5-10(11(15)16)14-12(17)13-9-7-4-6-8(9)2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9?,10-/m1/s1
InChIKeyJZECBMKXIMZYFN-UDNWOFFPSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds5

About (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid

(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid (PubChem CID 107566972) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
PubChem CID107566972
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCCC1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-5-10(11(15)16)14-12(17)13-9-7-4-6-8(9)2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9?,10-/m1/s1
InChIKeyJZECBMKXIMZYFN-UDNWOFFPSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid (CID 107566972) is (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC1CCCC1C)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The InChIKey is JZECBMKXIMZYFN-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-10(11(15)16)14-12(17)13-9-7-4-6-8(9)2/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).