methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate

C15H19NO3 — CID 124572872

IUPACmethyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
SMILESC=C[C@H](CC(=O)NCCC(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-12(13-7-5-4-6-8-13)11-14(17)16-10-9-15(18)19-2/h3-8,12H,1,9-11H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyAAUAJJCNIFZHFI-GFCCVEGCSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds7

About methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate

methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate (PubChem CID 124572872) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
PubChem CID124572872
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
SMILESC=C[C@H](CC(=O)NCCC(=O)OC)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-12(13-7-5-4-6-8-13)11-14(17)16-10-9-15(18)19-2/h3-8,12H,1,9-11H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyAAUAJJCNIFZHFI-GFCCVEGCSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate 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

methyl (3S)-3-phenylpent-4-enoate
CID 10511884
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
(3S)-3-phenylpent-4-enoic acid
CID 92981953
4-methyl-4-(3-phenylpent-4-enoylamino)pentanoic acid
CID 120519395
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
CID 99777059
N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
CID 136575983
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
CID 9229280
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
CID 138967855
methyl (3S)-3-(3-chlorophenyl)pent-4-enoate
CID 102598497

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate?
The IUPAC name of methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate (CID 124572872) is methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate is C=C[C@H](CC(=O)NCCC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate?
The InChIKey is AAUAJJCNIFZHFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-12(13-7-5-4-6-8-13)11-14(17)16-10-9-15(18)19-2/h3-8,12H,1,9-11H2,2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate?
methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate has a molecular weight of 261.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate is sourced from PubChem (CID 124572872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).