(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid

C14H26N2O4 — CID 107826727

IUPAC(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCC1CCC(N(C)C(=O)N[C@H](CCO)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-10-4-6-11(7-5-10)16(2)14(20)15-12(8-9-17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyKITLTSHZWRWFOB-HTAVTVPLSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds6

About (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107826727) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107826727
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCC1CCC(N(C)C(=O)N[C@H](CCO)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-10-4-6-11(7-5-10)16(2)14(20)15-12(8-9-17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyKITLTSHZWRWFOB-HTAVTVPLSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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 (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic 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)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
(2S)-4-amino-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63718119
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61229307
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 61228929
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid (CID 107826727) is (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid is CCC1CCC(N(C)C(=O)N[C@H](CCO)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is KITLTSHZWRWFOB-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-10-4-6-11(7-5-10)16(2)14(20)15-12(8-9-17)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107826727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).