[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid

C14H21NO3 — CID 174411289

IUPAC[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid
SMILESCC(C)C[C@H](CO)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(2)8-12(9-16)13(15-14(17)18)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyAOWJNBQNLPFRKT-PZORYLMUSA-N
MW251.33 g/mol
LogP2.65
Rot. Bonds6

About [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid

[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid (PubChem CID 174411289) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid
PubChem CID174411289
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid
SMILESCC(C)C[C@H](CO)C(NC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(2)8-12(9-16)13(15-14(17)18)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyAOWJNBQNLPFRKT-PZORYLMUSA-N
XLogP2.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
[(1R,2R)-1-(carbamoylamino)-1-phenylpropan-2-yl]carbamic acid
CID 137464280
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 45370794
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
CID 63182493
N-(2-ethyl-1-phenylbutyl)-2-(methylamino)propanamide
CID 62637480
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide
CID 74975410
3-amino-N-(2-ethyl-1-phenylbutyl)-2-methylpropanamide
CID 62669442
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid?
The IUPAC name of [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid (CID 174411289) is [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid?
The canonical SMILES for [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid is CC(C)C[C@H](CO)C(NC(=O)O)c1ccccc1.
What is the InChIKey of [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid?
The InChIKey is AOWJNBQNLPFRKT-PZORYLMUSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)8-12(9-16)13(15-14(17)18)11-6-4-3-5-7-11/h3-7,10,12-13,15-16H,8-9H2,1-2H3,(H,17,18)/t12-,13?/m1/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid?
[(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid has a molecular weight of 251.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)-4-methyl-1-phenylpentyl]carbamic acid is sourced from PubChem (CID 174411289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).