(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid

C14H26N2O4 — CID 107827982

IUPAC(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
SMILESCC1CCC(CCNC(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-10-2-4-11(5-3-10)6-8-15-14(20)16-12(7-9-17)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11?,12-/m0/s1
InChIKeyYFEJSEVZQORXCD-MCIGGMRASA-N
MW286.37 g/mol
LogP1.34
Rot. Bonds7

About (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid

(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid (PubChem CID 107827982) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
PubChem CID107827982
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
SMILESCC1CCC(CCNC(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-10-2-4-11(5-3-10)6-8-15-14(20)16-12(7-9-17)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11?,12-/m0/s1
InChIKeyYFEJSEVZQORXCD-MCIGGMRASA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic 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-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107829067
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid (CID 107827982) is (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid is CC1CCC(CCNC(=O)N[C@@H](CCO)C(=O)O)CC1.
What is the InChIKey of (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid?
The InChIKey is YFEJSEVZQORXCD-MCIGGMRASA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-2-4-11(5-3-10)6-8-15-14(20)16-12(7-9-17)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid?
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107827982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).