[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid

C12H15NO3 — CID 89313681

IUPAC[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid
SMILESO=CC[C@@H](CCc1ccccc1)NC(=O)O
InChIInChI=1S/C12H15NO3/c14-9-8-11(13-12(15)16)7-6-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2,(H,15,16)/t11-/m1/s1
InChIKeyHQQJBARLIDZJKV-LLVKDONJSA-N
MW221.26 g/mol
LogP1.84
Rot. Bonds6

About [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid

[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid (PubChem CID 89313681) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid
PubChem CID89313681
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid
SMILESO=CC[C@@H](CCc1ccccc1)NC(=O)O
InChIInChI=1S/C12H15NO3/c14-9-8-11(13-12(15)16)7-6-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2,(H,15,16)/t11-/m1/s1
InChIKeyHQQJBARLIDZJKV-LLVKDONJSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
CID 57140323
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
[1-amino-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propan-2-yl]carbamic acid
CID 122530718
[(2S)-1-amino-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propan-2-yl]carbamic acid
CID 122530716
dimethyl 2-methyl-2-(1-oxo-5-phenylpentan-3-yl)propanedioate
CID 15889730
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid (CID 89313681) is [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid is O=CC[C@@H](CCc1ccccc1)NC(=O)O.
What is the InChIKey of [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid?
The InChIKey is HQQJBARLIDZJKV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c14-9-8-11(13-12(15)16)7-6-10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid?
[(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid has a molecular weight of 221.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-oxo-5-phenylpentan-3-yl]carbamic acid is sourced from PubChem (CID 89313681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).