(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid

C10H13NO3 — CID 88787436

IUPAC(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
SMILESC[C@@](Cc1ccccc1)(NO)C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(11-14,9(12)13)7-8-5-3-2-4-6-8/h2-6,11,14H,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyPDXHCYIBHFVDCT-JTQLQIEISA-N
MW195.22 g/mol
LogP1.05
Rot. Bonds4

About (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid

(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid (PubChem CID 88787436) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
PubChem CID88787436
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
SMILESC[C@@](Cc1ccccc1)(NO)C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(11-14,9(12)13)7-8-5-3-2-4-6-8/h2-6,11,14H,7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyPDXHCYIBHFVDCT-JTQLQIEISA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 134918907
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
CID 114992828
2-methyl-2-(pentan-2-ylamino)-3-phenylpropanoic acid
CID 114992820
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
CID 150192897
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
CID 71564937
3-anilino-3-methyl-4-phenylbutan-2-one
CID 131859757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid (CID 88787436) is (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid is C[C@@](Cc1ccccc1)(NO)C(=O)O.
What is the InChIKey of (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid?
The InChIKey is PDXHCYIBHFVDCT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11-14,9(12)13)7-8-5-3-2-4-6-8/h2-6,11,14H,7H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid?
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 88787436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).