2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid

C11H15NO3 — CID 115731165

IUPAC2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid
SMILESCC(NC(=O)/C=C/C1=CCCC1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-10(13)7-6-9-4-2-3-5-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)(H,14,15)/b7-6+
InChIKeyVLBXIOTYOVWAMF-VOTSOKGWSA-N
MW209.25 g/mol
LogP1.24
Rot. Bonds4

About 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid

2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid (PubChem CID 115731165) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid
PubChem CID115731165
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid
SMILESCC(NC(=O)/C=C/C1=CCCC1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(14)15)12-10(13)7-6-9-4-2-3-5-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)(H,14,15)/b7-6+
InChIKeyVLBXIOTYOVWAMF-VOTSOKGWSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(2R)-2-[3-(3,5-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972903
(2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 54991128
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
(2S)-2-(3-fluoroprop-2-enoylamino)propanoic acid
CID 54215539
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
2-[[(E)-4,4-dimethylpent-2-enoyl]amino]propanoic acid
CID 115731134
(2R)-2-[[2-(4-methylcyclohexylidene)acetyl]amino]propanoic acid
CID 103791135
(2R)-2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92926240
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid?
The IUPAC name of 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid (CID 115731165) is 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid?
The canonical SMILES for 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid is CC(NC(=O)/C=C/C1=CCCC1)C(=O)O.
What is the InChIKey of 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid?
The InChIKey is VLBXIOTYOVWAMF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(14)15)12-10(13)7-6-9-4-2-3-5-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)(H,14,15)/b7-6+.
What are the key properties of 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid?
2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(cyclopenten-1-yl)prop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 115731165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).