prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate

C15H21NO2 — CID 59197617

IUPACprop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
SMILESC=CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-9-18-15(17)12(2)10-14(16)11-13-7-5-4-6-8-13/h3-8,12,14H,1,9-11,16H2,2H3/t12-,14+/m0/s1
InChIKeyOOVYAQHLOHVCSB-GXTWGEPZSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds7

About prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate

prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate (PubChem CID 59197617) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
PubChem CID59197617
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameprop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
SMILESC=CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-9-18-15(17)12(2)10-14(16)11-13-7-5-4-6-8-13/h3-8,12,14H,1,9-11,16H2,2H3/t12-,14+/m0/s1
InChIKeyOOVYAQHLOHVCSB-GXTWGEPZSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
CID 87946650
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
methyl (2S,4R)-4-amino-2-methyl-5-[4-(phenylmethoxycarbonylamino)phenyl]pentanoate
CID 90338257
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
prop-2-enyl (2S,4R)-4-[[2-[(3R)-3-amino-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 132917776

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate?
The IUPAC name of prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate (CID 59197617) is prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate is C=CCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccccc1.
What is the InChIKey of prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate?
The InChIKey is OOVYAQHLOHVCSB-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-9-18-15(17)12(2)10-14(16)11-13-7-5-4-6-8-13/h3-8,12,14H,1,9-11,16H2,2H3/t12-,14+/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate?
prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate has a molecular weight of 247.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate is sourced from PubChem (CID 59197617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).