2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid

C12H22N2O5 — CID 54998545

IUPAC2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H22N2O5/c15-7-6-14(9-4-2-1-3-5-9)12(19)13-10(8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyIIXSEDCILJUILW-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.23
Rot. Bonds6

About 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid

2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 54998545) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID54998545
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H22N2O5/c15-7-6-14(9-4-2-1-3-5-9)12(19)13-10(8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyIIXSEDCILJUILW-UHFFFAOYSA-N
XLogP-0.23
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827056
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 54998545) is 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid is O=C(O)C(CO)NC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is IIXSEDCILJUILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c15-7-6-14(9-4-2-1-3-5-9)12(19)13-10(8-16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18).
What are the key properties of 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 54998545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).