2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid

C13H18N2O4 — CID 66166586

IUPAC2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCc1ccccc1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-15(8-7-10-5-3-2-4-6-10)13(19)14-9-11(16)12(17)18/h2-6,11,16H,7-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyIMGCOTLXKHQIDL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

About 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid

2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid (PubChem CID 66166586) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
PubChem CID66166586
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCc1ccccc1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-15(8-7-10-5-3-2-4-6-10)13(19)14-9-11(16)12(17)18/h2-6,11,16H,7-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyIMGCOTLXKHQIDL-UHFFFAOYSA-N
XLogP0.32
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid (CID 66166586) is 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid is CN(CCc1ccccc1)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is IMGCOTLXKHQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(8-7-10-5-3-2-4-6-10)13(19)14-9-11(16)12(17)18/h2-6,11,16H,7-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid?
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 66166586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).