1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid

C10H15NO3 — CID 115433038

IUPAC1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESC=CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO3/c1-2-8(12)11-7-10(9(13)14)5-3-4-6-10/h2H,1,3-7H2,(H,11,12)(H,13,14)
InChIKeyYKIWFBCIUFZWOT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds4

About 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433038) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115433038
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESC=CC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15NO3/c1-2-8(12)11-7-10(9(13)14)5-3-4-6-10/h2H,1,3-7H2,(H,11,12)(H,13,14)
InChIKeyYKIWFBCIUFZWOT-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
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

1-[(buta-1,3-dien-2-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 146338302
1-[(pent-4-enoylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310746
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[[2-(prop-2-enylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436444
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048

Frequently Asked Questions

What is the IUPAC name of 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid (CID 115433038) is 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid is C=CC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YKIWFBCIUFZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-8(12)11-7-10(9(13)14)5-3-4-6-10/h2H,1,3-7H2,(H,11,12)(H,13,14).
What are the key properties of 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).