[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate

C19H25NO3 — CID 118866987

IUPAC[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate
SMILESC=CCCC(=O)NC(CC(=O)O[C@H](C)CC=C)c1ccccc1
InChIInChI=1S/C19H25NO3/c1-4-6-13-18(21)20-17(16-11-8-7-9-12-16)14-19(22)23-15(3)10-5-2/h4-5,7-9,11-12,15,17H,1-2,6,10,13-14H2,3H3,(H,20,21)/t15-,17?/m1/s1
InChIKeyNLNIMWWYAZIFJW-LDCVWXEPSA-N
MW315.41 g/mol
LogP3.71
Rot. Bonds10

About [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate

[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate (PubChem CID 118866987) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate
PubChem CID118866987
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate
SMILESC=CCCC(=O)NC(CC(=O)O[C@H](C)CC=C)c1ccccc1
InChIInChI=1S/C19H25NO3/c1-4-6-13-18(21)20-17(16-11-8-7-9-12-16)14-19(22)23-15(3)10-5-2/h4-5,7-9,11-12,15,17H,1-2,6,10,13-14H2,3H3,(H,20,21)/t15-,17?/m1/s1
InChIKeyNLNIMWWYAZIFJW-LDCVWXEPSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-(2-methylpropyl) 1-O-[(2R)-2-(pent-4-enoylamino)-2-phenylethyl] 2-prop-2-enylbutanedioate
CID 118867349
[2-(pent-4-enoylamino)-2-phenylethyl] 2-methylpent-4-enoate
CID 118867030
[(2S)-pent-4-en-2-yl] (3R)-3-amino-3-phenylpropanoate
CID 86714915
pent-4-en-2-yl 3-amino-3-phenylpropanoate
CID 118867225
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
4-O-tert-butyl 1-O-[(2R)-2-(pent-4-enoylamino)-2-phenylethyl] (2S)-2-prop-2-enylbutanedioate
CID 67310391
3-(4-bromophenyl)-3-(pent-4-enoylamino)propanoic acid
CID 75513310
1-O-[(2S)-2-(4-fluorophenyl)-2-(pent-4-enoylamino)ethyl] 4-O-(2-methylpropyl) 2-prop-2-enylbutanedioate
CID 118867185
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310

Frequently Asked Questions

What is the IUPAC name of [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate?
The IUPAC name of [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate (CID 118866987) is [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate.
What is the SMILES notation for [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate?
The canonical SMILES for [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate is C=CCCC(=O)NC(CC(=O)O[C@H](C)CC=C)c1ccccc1.
What is the InChIKey of [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate?
The InChIKey is NLNIMWWYAZIFJW-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-6-13-18(21)20-17(16-11-8-7-9-12-16)14-19(22)23-15(3)10-5-2/h4-5,7-9,11-12,15,17H,1-2,6,10,13-14H2,3H3,(H,20,21)/t15-,17?/m1/s1.
What are the key properties of [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate?
[(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate has a molecular weight of 315.41 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pent-4-en-2-yl] 3-(pent-4-enoylamino)-3-phenylpropanoate is sourced from PubChem (CID 118866987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).