3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid

C13H24N2O4 — CID 66166749

IUPAC3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCC1CCC(N(C)C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-8-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyNSGJPHSHUBHWAC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds5

About 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid

3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66166749) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66166749
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCC1CCC(N(C)C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-8-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyNSGJPHSHUBHWAC-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223298
4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158823
3-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66167992
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
3-[(4-ethylcyclohexyl)-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897738
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
(2S)-4-amino-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63718119
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62669199
3-methyl-2-[[[methyl-(4-methylcyclohexyl)carbamoyl]amino]methyl]butanoic acid
CID 65223197
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid (CID 66166749) is 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid is CCC1CCC(N(C)C(=O)NCC(O)C(=O)O)CC1.
What is the InChIKey of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is NSGJPHSHUBHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-8-11(16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).