1-formamidocyclopropane-1-carboxylic acid

C5H7NO3 — CID 19860724

IUPAC1-formamidocyclopropane-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CC1
InChIInChI=1S/C5H7NO3/c7-3-6-5(1-2-5)4(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyUPIUTCMVUPFJTQ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.65
Rot. Bonds3

About 1-formamidocyclopropane-1-carboxylic acid

1-formamidocyclopropane-1-carboxylic acid (PubChem CID 19860724) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 1-formamidocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-formamidocyclopropane-1-carboxylic acid
PubChem CID19860724
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name1-formamidocyclopropane-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CC1
InChIInChI=1S/C5H7NO3/c7-3-6-5(1-2-5)4(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyUPIUTCMVUPFJTQ-UHFFFAOYSA-N
XLogP-0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylamino)cyclopropane-1-carboxylic acid
CID 386197
1-(Methylamino)cyclopropane-1-carboxylic acid hydrochloride
CID 13556581
dl-2-Formamido-2-methylbutyric acid
CID 567616
N-formyl-2-methylAlanine
CID 15683540
Sodium 1-formamidocyclopropane-1-carboxylate
CID 23720640
Potassium 1-formamidocyclopropane-1-carboxylate
CID 23720641
Methyl 1-formamidocyclopropane-1-carboxylate
CID 45089137
1-(2-Oxoethylamino)cyclopropane-1-carboxylic acid
CID 86141490
Ethane;1-(methylamino)cyclopropane-1-carboxylic acid
CID 91255825
(2R)-2-formamido-2-methylbutanoic acid
CID 101686674
1-(Carboxyamino)cyclopropane-1-carboxylic acid
CID 122599748
Calcium;1-formamidocyclopropane-1-carboxylic acid;hydride
CID 173415271

Frequently Asked Questions

What is the IUPAC name of 1-formamidocyclopropane-1-carboxylic acid?
The IUPAC name of 1-formamidocyclopropane-1-carboxylic acid (CID 19860724) is 1-formamidocyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-formamidocyclopropane-1-carboxylic acid?
The canonical SMILES for 1-formamidocyclopropane-1-carboxylic acid is O=CNC1(C(=O)O)CC1.
What is the InChIKey of 1-formamidocyclopropane-1-carboxylic acid?
The InChIKey is UPIUTCMVUPFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-6-5(1-2-5)4(8)9/h3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 1-formamidocyclopropane-1-carboxylic acid?
1-formamidocyclopropane-1-carboxylic acid has a molecular weight of 129.12 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidocyclopropane-1-carboxylic acid is sourced from PubChem (CID 19860724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).