(2S)-2-formamido-2-phenylpropanoic acid

C10H11NO3 — CID 86615567

IUPAC(2S)-2-formamido-2-phenylpropanoic acid
SMILESC[C@@](NC=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t10-/m0/s1
InChIKeyQLRKSVGTYRLLEP-JTQLQIEISA-N
MW193.20 g/mol
LogP0.73
Rot. Bonds4

About (2S)-2-formamido-2-phenylpropanoic acid

(2S)-2-formamido-2-phenylpropanoic acid (PubChem CID 86615567) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S)-2-formamido-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-formamido-2-phenylpropanoic acid
PubChem CID86615567
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2S)-2-formamido-2-phenylpropanoic acid
SMILESC[C@@](NC=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t10-/m0/s1
InChIKeyQLRKSVGTYRLLEP-JTQLQIEISA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
CID 161352808
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-formamido-2-methoxy-2-phenylacetic acid
CID 57133630
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
(2S)-2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 57366194
2-(2-benzoylhydrazinyl)-2-phenylpropanoic acid
CID 67684435
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-formamido-2-phenylpropanoic acid (CID 86615567) is (2S)-2-formamido-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-formamido-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-formamido-2-phenylpropanoic acid is C[C@@](NC=O)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-formamido-2-phenylpropanoic acid?
The InChIKey is QLRKSVGTYRLLEP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-formamido-2-phenylpropanoic acid?
(2S)-2-formamido-2-phenylpropanoic acid has a molecular weight of 193.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-2-phenylpropanoic acid is sourced from PubChem (CID 86615567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).