2-amino-1-phenylbutane-2,3-diol

C10H15NO2 — CID 175388454

IUPAC2-amino-1-phenylbutane-2,3-diol
SMILESCC(O)C(N)(O)Cc1ccccc1
InChIInChI=1S/C10H15NO2/c1-8(12)10(11,13)7-9-5-3-2-4-6-9/h2-6,8,12-13H,7,11H2,1H3
InChIKeyKQRKDHRXGQFDFO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds3

About 2-amino-1-phenylbutane-2,3-diol

2-amino-1-phenylbutane-2,3-diol (PubChem CID 175388454) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-1-phenylbutane-2,3-diol.

Molecular Properties

Compound Name2-amino-1-phenylbutane-2,3-diol
PubChem CID175388454
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-amino-1-phenylbutane-2,3-diol
SMILESCC(O)C(N)(O)Cc1ccccc1
InChIInChI=1S/C10H15NO2/c1-8(12)10(11,13)7-9-5-3-2-4-6-9/h2-6,8,12-13H,7,11H2,1H3
InChIKeyKQRKDHRXGQFDFO-UHFFFAOYSA-N
XLogP0.26
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-amino-3-(dimethylamino)-1-phenylpent-4-en-2-ol
CID 140503956
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
benzyl 3-amino-3,3-dihydroxy-2-methylpropanoate
CID 126485622
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylbutane-2,3-diol?
The IUPAC name of 2-amino-1-phenylbutane-2,3-diol (CID 175388454) is 2-amino-1-phenylbutane-2,3-diol.
What is the SMILES notation for 2-amino-1-phenylbutane-2,3-diol?
The canonical SMILES for 2-amino-1-phenylbutane-2,3-diol is CC(O)C(N)(O)Cc1ccccc1.
What is the InChIKey of 2-amino-1-phenylbutane-2,3-diol?
The InChIKey is KQRKDHRXGQFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12)10(11,13)7-9-5-3-2-4-6-9/h2-6,8,12-13H,7,11H2,1H3.
What are the key properties of 2-amino-1-phenylbutane-2,3-diol?
2-amino-1-phenylbutane-2,3-diol has a molecular weight of 181.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylbutane-2,3-diol is sourced from PubChem (CID 175388454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).