(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane

C10H15NO3 — CID 159519060

IUPAC(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
SMILESC.N[C@@H](c1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C9H11NO3.CH4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H4/t7-,8-;/m0./s1
InChIKeyMBOOTMSILAJLGG-WSZWBAFRSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds3

About (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane

(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane (PubChem CID 159519060) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
PubChem CID159519060
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
SMILESC.N[C@@H](c1ccccc1)[C@H](O)C(=O)O
InChIInChI=1S/C9H11NO3.CH4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H4/t7-,8-;/m0./s1
InChIKeyMBOOTMSILAJLGG-WSZWBAFRSA-N
XLogP0.77
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-3-phenylpropanoate
CID 22033560
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
CID 24994544
4-[(1S,2R)-1-amino-2-carboxy-2-hydroxyethyl]benzoic acid
CID 70149736
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
CID 18431576
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 67807121
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane?
The IUPAC name of (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane (CID 159519060) is (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane.
What is the SMILES notation for (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane?
The canonical SMILES for (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane is C.N[C@@H](c1ccccc1)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane?
The InChIKey is MBOOTMSILAJLGG-WSZWBAFRSA-N. The full InChI is InChI=1S/C9H11NO3.CH4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H4/t7-,8-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane?
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane has a molecular weight of 197.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane is sourced from PubChem (CID 159519060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).