N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide

C10H13NO3 — CID 13382276

IUPACN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
SMILESO=CN[C@@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H13NO3/c12-6-9(11-7-13)10(14)8-4-2-1-3-5-8/h1-5,7,9-10,12,14H,6H2,(H,11,13)/t9-,10-/m0/s1
InChIKeyCUSRFBSABVLCRF-UWVGGRQHSA-N
MW195.22 g/mol
LogP-0.17
Rot. Bonds5

About N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide (PubChem CID 13382276) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
PubChem CID13382276
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide
SMILESO=CN[C@@H](CO)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H13NO3/c12-6-9(11-7-13)10(14)8-4-2-1-3-5-8/h1-5,7,9-10,12,14H,6H2,(H,11,13)/t9-,10-/m0/s1
InChIKeyCUSRFBSABVLCRF-UWVGGRQHSA-N
XLogP-0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.17
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

N-(1,3-dihydroxy-1-phenylpropan-2-yl)formamide
CID 13382275
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
CID 172835008
2-(3-methylbutan-2-ylamino)-1-phenylpropane-1,3-diol
CID 23274552
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488
N-[2-hydroxy-1-(4-phenylphenyl)ethyl]formamide
CID 170955865
4-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]naphthalene-1,2-dione
CID 4647129
1,2-diphenylethane-1,2-diol
CID 159073808
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
2-bromo-1-phenylpropane-1,3-diol
CID 21270529
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide?
The IUPAC name of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide (CID 13382276) is N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide.
What is the SMILES notation for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide?
The canonical SMILES for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide is O=CN[C@@H](CO)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide?
The InChIKey is CUSRFBSABVLCRF-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H13NO3/c12-6-9(11-7-13)10(14)8-4-2-1-3-5-8/h1-5,7,9-10,12,14H,6H2,(H,11,13)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide?
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide has a molecular weight of 195.22 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]formamide is sourced from PubChem (CID 13382276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).