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

C13H24N2O4 — CID 80756492

IUPAC(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCC1CCC(N(C)C(=O)N[C@H](CO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-11(8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyLJAOPGHYKJQLCI-VQXHTEKXSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds5

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

(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 80756492) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID80756492
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCC1CCC(N(C)C(=O)N[C@H](CO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-11(8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyLJAOPGHYKJQLCI-VQXHTEKXSA-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

(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
(2S)-4-amino-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63718119
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
(2R)-2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80757557
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66166749
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
2-[[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223298
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
(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]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid (CID 80756492) is (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid is CCC1CCC(N(C)C(=O)N[C@H](CO)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is LJAOPGHYKJQLCI-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)15(2)13(19)14-11(8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-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 (2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80756492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).