[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid

C11H15NO3 — CID 142645077

IUPAC[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](CCO)Cc1ccccc1
InChIInChI=1S/C11H15NO3/c13-7-6-10(12-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyQAMGJKMKNKLIRH-JTQLQIEISA-N
MW209.25 g/mol
LogP1.25
Rot. Bonds5

About [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid

[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid (PubChem CID 142645077) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
PubChem CID142645077
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](CCO)Cc1ccccc1
InChIInChI=1S/C11H15NO3/c13-7-6-10(12-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1
InChIKeyQAMGJKMKNKLIRH-JTQLQIEISA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid
CID 69329864
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-hydroxy-1-phenylbutan-2-yl)amino]butane-1-sulfonic acid
CID 87150595
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid
CID 89313681
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid (CID 142645077) is [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid is O=C(O)N[C@@H](CCO)Cc1ccccc1.
What is the InChIKey of [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid?
The InChIKey is QAMGJKMKNKLIRH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-6-10(12-11(14)15)8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid?
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid has a molecular weight of 209.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid is sourced from PubChem (CID 142645077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).