(2S)-3-phenyl-2-(sulfinylamino)propanoic acid

C9H9NO3S — CID 154380073

IUPAC(2S)-3-phenyl-2-(sulfinylamino)propanoic acid
SMILESO=S=N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H9NO3S/c11-9(12)8(10-14-13)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
InChIKeyDBKFMUUTCPZLGL-QMMMGPOBSA-N
MW211.24 g/mol
LogP1.08
Rot. Bonds4

About (2S)-3-phenyl-2-(sulfinylamino)propanoic acid

(2S)-3-phenyl-2-(sulfinylamino)propanoic acid (PubChem CID 154380073) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(sulfinylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(sulfinylamino)propanoic acid
PubChem CID154380073
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name(2S)-3-phenyl-2-(sulfinylamino)propanoic acid
SMILESO=S=N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H9NO3S/c11-9(12)8(10-14-13)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
InChIKeyDBKFMUUTCPZLGL-QMMMGPOBSA-N
XLogP1.08
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-isocyanato-3-phenylpropanoic acid
CID 15221985
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
2-(1,2-diaminoethylideneamino)-3-phenylpropanoic acid
CID 146437179
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
disodium;2-benzylpropanedioate
CID 141289309
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
3-phenyl-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
CID 69143838
(2S)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanoic acid
CID 70622231
(2S)-2-isocyanato-3-(4-phenylphenyl)propanoic acid
CID 100968088

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(sulfinylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(sulfinylamino)propanoic acid (CID 154380073) is (2S)-3-phenyl-2-(sulfinylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(sulfinylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(sulfinylamino)propanoic acid is O=S=N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-3-phenyl-2-(sulfinylamino)propanoic acid?
The InChIKey is DBKFMUUTCPZLGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-9(12)8(10-14-13)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(sulfinylamino)propanoic acid?
(2S)-3-phenyl-2-(sulfinylamino)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(sulfinylamino)propanoic acid is sourced from PubChem (CID 154380073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).