2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid

C15H22N2O4 — CID 22722745

IUPAC2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(CCO)CCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-12(14(19)20)16(2)15(21)17(10-11-18)9-8-13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,20)
InChIKeyPDNUQFDYYQDFEI-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.05
Rot. Bonds7

About 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid

2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 22722745) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID22722745
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(CCO)CCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-12(14(19)20)16(2)15(21)17(10-11-18)9-8-13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,20)
InChIKeyPDNUQFDYYQDFEI-UHFFFAOYSA-N
XLogP1.05
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
2-[methyl-[2-(2-phenylethylsulfanyl)acetyl]amino]propanoic acid
CID 62626571
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
S-[2-[[methyl-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamoyl]-(2-phenylethyl)amino]ethyl] ethanethioate
CID 22722865
1-(2-hydroxyethyl)-3-(3-methyl-2-phenylbutyl)-1-(2-phenylethyl)urea
CID 86943757
2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]propanoic acid
CID 119209215
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid (CID 22722745) is 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N(CCO)CCc1ccccc1.
What is the InChIKey of 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is PDNUQFDYYQDFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(14(19)20)16(2)15(21)17(10-11-18)9-8-13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid?
2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2-phenylethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 22722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).