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

C12H20N2O6 — CID 81084635

IUPAC2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCCOC(=O)CN(C(=O)NC(COC)C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O6/c1-3-20-10(15)6-14(8-4-5-8)12(18)13-9(7-19-2)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyPMRXWNBJIVXYEH-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.18
Rot. Bonds8

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

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid (PubChem CID 81084635) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
PubChem CID81084635
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCCOC(=O)CN(C(=O)NC(COC)C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O6/c1-3-20-10(15)6-14(8-4-5-8)12(18)13-9(7-19-2)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyPMRXWNBJIVXYEH-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55006428
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305201
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086122
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81086151
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid (CID 81084635) is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid is CCOC(=O)CN(C(=O)NC(COC)C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid?
The InChIKey is PMRXWNBJIVXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-20-10(15)6-14(8-4-5-8)12(18)13-9(7-19-2)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid?
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 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-methoxypropanoic acid is sourced from PubChem (CID 81084635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).