(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid

C10H15NO3 — CID 118541105

IUPAC(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
SMILESC[C@@H](N)[C@@H](O)c1ccccc1.O=CO
InChIInChI=1S/C9H13NO.CH2O2/c1-7(10)9(11)8-5-3-2-4-6-8;2-1-3/h2-7,9,11H,10H2,1H3;1H,(H,2,3)/t7-,9-;/m1./s1
InChIKeyVTGFBOCZCVIDHO-PRCZDLBKSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds2

About (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid

(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid (PubChem CID 118541105) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
PubChem CID118541105
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
SMILESC[C@@H](N)[C@@H](O)c1ccccc1.O=CO
InChIInChI=1S/C9H13NO.CH2O2/c1-7(10)9(11)8-5-3-2-4-6-8;2-1-3/h2-7,9,11H,10H2,1H3;1H,(H,2,3)/t7-,9-;/m1./s1
InChIKeyVTGFBOCZCVIDHO-PRCZDLBKSA-N
XLogP0.77
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
CID 76974285
acetyl chloride;(1R,2S)-2-amino-1-phenylpropan-1-ol;N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 165079516
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
1,2-diphenylethane-1,2-diol
CID 159073808
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid?
The IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid (CID 118541105) is (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid.
What is the SMILES notation for (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid?
The canonical SMILES for (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid is C[C@@H](N)[C@@H](O)c1ccccc1.O=CO.
What is the InChIKey of (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid?
The InChIKey is VTGFBOCZCVIDHO-PRCZDLBKSA-N. The full InChI is InChI=1S/C9H13NO.CH2O2/c1-7(10)9(11)8-5-3-2-4-6-8;2-1-3/h2-7,9,11H,10H2,1H3;1H,(H,2,3)/t7-,9-;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid?
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid is sourced from PubChem (CID 118541105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).