1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 82763385

IUPAC1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-3-7-13-8-10(15)14-9-5-4-6-12(9,2)11(16)17/h3,9,13H,1,4-8H2,2H3,(H,14,15)(H,16,17)
InChIKeyNXWFBPICTYKQBH-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.52
Rot. Bonds6

About 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82763385) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82763385
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O3/c1-3-7-13-8-10(15)14-9-5-4-6-12(9,2)11(16)17/h3,9,13H,1,4-8H2,2H3,(H,14,15)(H,16,17)
InChIKeyNXWFBPICTYKQBH-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 82763385) is 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid is C=CCNCC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is NXWFBPICTYKQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-7-13-8-10(15)14-9-5-4-6-12(9,2)11(16)17/h3,9,13H,1,4-8H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).