3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid

C14H20N2O4 — CID 106109628

IUPAC3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-16(10-11-7-5-4-6-8-11)14(19)15-9-12(20-2)13(17)18/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPKFKRXJJHPTRCG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds7

About 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109628) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109628
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-16(10-11-7-5-4-6-8-11)14(19)15-9-12(20-2)13(17)18/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPKFKRXJJHPTRCG-UHFFFAOYSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106110338
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
1-ethyl-1-(furan-3-ylmethyl)-3-[(2R)-2-methoxy-2-phenylethyl]urea
CID 95637612
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
1-benzyl-1-ethyl-3-(furan-2-yl)urea
CID 108868477

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid (CID 106109628) is 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid is CCN(Cc1ccccc1)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is PKFKRXJJHPTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-16(10-11-7-5-4-6-8-11)14(19)15-9-12(20-2)13(17)18/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).