(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid

C13H15NO5 — CID 22855125

IUPAC(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
SMILESC[C@H](C(=O)O)N(CC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c1-10(12(16)17)14(7-8-15)13(18)19-9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyNAMUCZZNPZMZBF-SNVBAGLBSA-N
MW265.26 g/mol
LogP1.30
Rot. Bonds6

About (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid

(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid (PubChem CID 22855125) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
PubChem CID22855125
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
SMILESC[C@H](C(=O)O)N(CC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c1-10(12(16)17)14(7-8-15)13(18)19-9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyNAMUCZZNPZMZBF-SNVBAGLBSA-N
XLogP1.30
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
(2S)-2-[(2-methylpropan-2-yl)oxymethyl-phenylmethoxycarbonylamino]propanoic acid
CID 70094016
2-[(2-bromophenyl)methyl-phenylmethoxycarbonylamino]propanoic acid
CID 172808051
methyl (2R)-2-[[(3R)-3-aminobutyl]-phenylmethoxycarbonylamino]propanoate
CID 69154974
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
benzyl N-[(E,2R)-2-hydroxypent-3-enyl]-N-propan-2-ylcarbamate
CID 10869586
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid (CID 22855125) is (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid is C[C@H](C(=O)O)N(CC=O)C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid?
The InChIKey is NAMUCZZNPZMZBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO5/c1-10(12(16)17)14(7-8-15)13(18)19-9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid?
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 22855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).