2-(prop-2-enylamino)cyclopropane-1-carboxylic acid

C7H11NO2 — CID 117027592

IUPAC2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
SMILESC=CCNC1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-8-6-4-5(6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyQLCYJOFLRUECRM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.24
Rot. Bonds4

About 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid

2-(prop-2-enylamino)cyclopropane-1-carboxylic acid (PubChem CID 117027592) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
PubChem CID117027592
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
SMILESC=CCNC1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-8-6-4-5(6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyQLCYJOFLRUECRM-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)cyclopropane-1-carboxylic acid
CID 117027588
2-(pentylamino)cyclopropane-1-carboxylic acid
CID 117027619
cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
CID 12721336
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(prop-2-enylamino)piperidine-3-carboxylic acid;hydrochloride
CID 76854057
(1S,2R,4R)-4-hydroxy-2-(prop-2-enoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 167734768
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
CID 165351929
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
2-methyl-N-prop-2-enylthian-3-amine
CID 79957259
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390269

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid (CID 117027592) is 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid is C=CCNC1CC1C(=O)O.
What is the InChIKey of 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid?
The InChIKey is QLCYJOFLRUECRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-8-6-4-5(6)7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10).
What are the key properties of 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid?
2-(prop-2-enylamino)cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117027592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).