(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid

C10H18N2O4 — CID 11424725

IUPAC(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid
SMILESO=C(NC[C@@H](O)C(=O)O)NC1CCCCC1
InChIInChI=1S/C10H18N2O4/c13-8(9(14)15)6-11-10(16)12-7-4-2-1-3-5-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyGFAPAEUPFGANHL-MRVPVSSYSA-N
MW230.26 g/mol
LogP0.06
Rot. Bonds4

About (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid

(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid (PubChem CID 11424725) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid
PubChem CID11424725
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid
SMILESO=C(NC[C@@H](O)C(=O)O)NC1CCCCC1
InChIInChI=1S/C10H18N2O4/c13-8(9(14)15)6-11-10(16)12-7-4-2-1-3-5-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1
InChIKeyGFAPAEUPFGANHL-MRVPVSSYSA-N
XLogP0.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 107840665
2-Hydroxy-3-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 113327963
N-(2,3-dihydroxypropyl)(cyclohexylamino)carboxamide
CID 5070393
3-(Cyclohexylamino)-2-hydroxypropanoic acid
CID 21532221
Bis(2-carboxy-2-hydroxyethyl)-cyclohexylazanium
CID 173462479
1-cyclohexyl-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40600200
1-cyclohexyl-3-[(2R)-2,3-dihydroxypropyl]urea
CID 40600201
3-[[Cyclohexyl(2-hydroxyethyl)carbamoyl]amino]propanoic acid
CID 54998496
3-[(2-Hydroxycyclohexyl)carbamoylamino]butanoic acid
CID 55063944
4-(Cyclohexylcarbamoyl)morpholine-2-carboxylic acid
CID 61738133
3-[(2-Hydroxycyclohexyl)carbamoylamino]propanoic acid
CID 62359819
3-[(2-Hydroxycyclohexyl)carbamoyl-methylamino]propanoic acid
CID 62361134

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid (CID 11424725) is (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid is O=C(NC[C@@H](O)C(=O)O)NC1CCCCC1.
What is the InChIKey of (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid?
The InChIKey is GFAPAEUPFGANHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8(9(14)15)6-11-10(16)12-7-4-2-1-3-5-7/h7-8,13H,1-6H2,(H,14,15)(H2,11,12,16)/t8-/m1/s1.
What are the key properties of (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid?
(2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyclohexylcarbamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 11424725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).