(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid

C13H24N2O4 — CID 55033421

IUPAC(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)NC1CCCC1OC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-8(2)11(12(16)17)15-13(18)14-9-6-5-7-10(9)19-3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)/t8-,9?,10?,11-/m0/s1
InChIKeyKUYCYBWFCZJIPF-PMUOWJKOSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds6

About (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid

(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid (PubChem CID 55033421) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
PubChem CID55033421
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)NC1CCCC1OC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-8(2)11(12(16)17)15-13(18)14-9-6-5-7-10(9)19-3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)/t8-,9?,10?,11-/m0/s1
InChIKeyKUYCYBWFCZJIPF-PMUOWJKOSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
2-[(2-methoxycyclopentyl)carbamoylamino]pentanedioic acid
CID 62088265
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910229
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
1-(2-methoxycyclohexyl)-3-(4-methylsulfanylbutan-2-yl)urea
CID 71989996
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid (CID 55033421) is (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)NC1CCCC1OC)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid?
The InChIKey is KUYCYBWFCZJIPF-PMUOWJKOSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-8(2)11(12(16)17)15-13(18)14-9-6-5-7-10(9)19-3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)/t8-,9?,10?,11-/m0/s1.
What are the key properties of (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid?
(2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2-methoxycyclopentyl)carbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 55033421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).