3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid

C14H20N2O4 — CID 122012065

IUPAC3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
SMILESCCOC(CNC(=O)NCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-2-20-12(11-6-4-3-5-7-11)10-16-14(19)15-9-8-13(17)18/h3-7,12H,2,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBZQMUJRUZUNQPZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.54
Rot. Bonds8

About 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid

3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid (PubChem CID 122012065) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
PubChem CID122012065
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
SMILESCCOC(CNC(=O)NCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-2-20-12(11-6-4-3-5-7-11)10-16-14(19)15-9-8-13(17)18/h3-7,12H,2,8-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBZQMUJRUZUNQPZ-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
CID 99840154
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
CID 99839643
4-[(3-hydroxy-2-phenylpropyl)carbamoylamino]butanoic acid
CID 122022299
1-(2,2-diethoxyethyl)-3-(3-phenoxypropyl)urea
CID 108883305
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
tert-butyl N-[2-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]ethyl]carbamate
CID 95145487
1-ethoxy-1-phenylpentan-3-one
CID 3736570
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
2-ethoxy-2-phenylethanethiol
CID 151400804
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid (CID 122012065) is 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid is CCOC(CNC(=O)NCCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid?
The InChIKey is BZQMUJRUZUNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-20-12(11-6-4-3-5-7-11)10-16-14(19)15-9-8-13(17)18/h3-7,12H,2,8-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid?
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122012065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).