2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid

C11H18N2O6 — CID 55006428

IUPAC2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCOC(=O)CN(C(=O)NC(CO)C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O6/c1-2-19-9(15)5-13(7-3-4-7)11(18)12-8(6-14)10(16)17/h7-8,14H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyZQWULRIZBQZTHA-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.83
Rot. Bonds7

About 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 55006428) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID55006428
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCOC(=O)CN(C(=O)NC(CO)C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O6/c1-2-19-9(15)5-13(7-3-4-7)11(18)12-8(6-14)10(16)17/h7-8,14H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyZQWULRIZBQZTHA-UHFFFAOYSA-N
XLogP-0.83
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084635
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
CID 107566625
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 55006428) is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCOC(=O)CN(C(=O)NC(CO)C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is ZQWULRIZBQZTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-2-19-9(15)5-13(7-3-4-7)11(18)12-8(6-14)10(16)17/h7-8,14H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 55006428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).