(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid

C14H26N2O4 — CID 107840486

IUPAC(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C)CN(C(=O)NCC[C@H](O)C(=O)O)C1CCCC1
InChIInChI=1S/C14H26N2O4/c1-10(2)9-16(11-5-3-4-6-11)14(20)15-8-7-12(17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyMKRRSRWDBUYCSS-LBPRGKRZSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds7

About (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107840486) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107840486
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCC(C)CN(C(=O)NCC[C@H](O)C(=O)O)C1CCCC1
InChIInChI=1S/C14H26N2O4/c1-10(2)9-16(11-5-3-4-6-11)14(20)15-8-7-12(17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1
InChIKeyMKRRSRWDBUYCSS-LBPRGKRZSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid with MolForge

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Related Compounds

4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
(2R)-2-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107828390
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107840486) is (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid is CC(C)CN(C(=O)NCC[C@H](O)C(=O)O)C1CCCC1.
What is the InChIKey of (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is MKRRSRWDBUYCSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)9-16(11-5-3-4-6-11)14(20)15-8-7-12(17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).