1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid

C8H11NO2 — CID 67633079

IUPAC1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid
SMILESC=CC1=CCC(N)(C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-6-3-4-8(9,5-6)7(10)11/h2-3H,1,4-5,9H2,(H,10,11)
InChIKeyHMHXJJCCDFPEAG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.67
Rot. Bonds2

About 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid

1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid (PubChem CID 67633079) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid
PubChem CID67633079
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid
SMILESC=CC1=CCC(N)(C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-6-3-4-8(9,5-6)7(10)11/h2-3H,1,4-5,9H2,(H,10,11)
InChIKeyHMHXJJCCDFPEAG-UHFFFAOYSA-N
XLogP0.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Fluoro-methyl)-3-(3,4-dihydrophenyl) alanine
CID 129722125
(1r,4s)-Aminocyclopent-2-ene-1-carboxylic acid
CID 22172784
1-Amino-4-fluorocyclohex-3-ene-1-carboxylic acid
CID 124011789
(E,4Z)-2-amino-4-ethylidene-5-fluoro-2-methylhept-5-enoic acid
CID 144437145
2-Amino-2-[(4,4-difluorocyclohexa-1,5-dien-1-yl)methyl]butanoic acid
CID 154195661
methyl (1S)-1-amino-3-ethenylcyclopent-3-ene-1-carboxylate
CID 10953915
Alpha-Methyldihydrophenylalanine
CID 129890460
2-Amino-2-(2-cyclopentenyl)propanoic acid
CID 130987040
methyl (1R)-1-amino-5-methylidenecyclohex-3-ene-1-carboxylate
CID 15381141
1-Amino-3-methylcyclopent-3-ene-1-carboxylic acid
CID 19077646
2-Amino-2-ethylhex-5-enoic acid
CID 20149468
1-Aminocyclohex-3-ene-1-carboxylic acid
CID 45089117

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid (CID 67633079) is 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid is C=CC1=CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid?
The InChIKey is HMHXJJCCDFPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-6-3-4-8(9,5-6)7(10)11/h2-3H,1,4-5,9H2,(H,10,11).
What are the key properties of 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid?
1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethenylcyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 67633079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).