(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate

C12H21N2O3- — CID 6956773

IUPAC(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
SMILESCC(C)C[C@H](NC(=O)NC1CCCC1)C(=O)[O-]
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10(11(15)16)14-12(17)13-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m0/s1
InChIKeyMMHFDPOBJWIMIH-JTQLQIEISA-M
MW241.31 g/mol
LogP0.39
Rot. Bonds5

About (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate

(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate (PubChem CID 6956773) has the molecular formula C12H21N2O3- and a molecular weight of 241.31 g/mol. Its IUPAC name is (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
PubChem CID6956773
Molecular FormulaC12H21N2O3-
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
SMILESCC(C)C[C@H](NC(=O)NC1CCCC1)C(=O)[O-]
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10(11(15)16)14-12(17)13-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m0/s1
InChIKeyMMHFDPOBJWIMIH-JTQLQIEISA-M
XLogP0.39
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
CID 131887682
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 7680380
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
CID 163408455
(2S)-2-[[(2R)-butan-2-yl]carbamoylamino]-4-methylpentanoate
CID 7529479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate?
The IUPAC name of (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate (CID 6956773) is (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate.
What is the SMILES notation for (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate?
The canonical SMILES for (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate is CC(C)C[C@H](NC(=O)NC1CCCC1)C(=O)[O-].
What is the InChIKey of (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate?
The InChIKey is MMHFDPOBJWIMIH-JTQLQIEISA-M. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-10(11(15)16)14-12(17)13-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate?
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate has a molecular weight of 241.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate is sourced from PubChem (CID 6956773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).