2-[amino(cyclopropyl)methylidene]butanoic acid

C8H13NO2 — CID 67810277

IUPAC2-[amino(cyclopropyl)methylidene]butanoic acid
SMILESCCC(C(=O)O)=C(N)C1CC1
InChIInChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyVKUCTROJEZNUGY-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.10
Rot. Bonds3

About 2-[amino(cyclopropyl)methylidene]butanoic acid

2-[amino(cyclopropyl)methylidene]butanoic acid (PubChem CID 67810277) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methylidene]butanoic acid.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methylidene]butanoic acid
PubChem CID67810277
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[amino(cyclopropyl)methylidene]butanoic acid
SMILESCCC(C(=O)O)=C(N)C1CC1
InChIInChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyVKUCTROJEZNUGY-UHFFFAOYSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methylidene]butanoic acid?
The IUPAC name of 2-[amino(cyclopropyl)methylidene]butanoic acid (CID 67810277) is 2-[amino(cyclopropyl)methylidene]butanoic acid.
What is the SMILES notation for 2-[amino(cyclopropyl)methylidene]butanoic acid?
The canonical SMILES for 2-[amino(cyclopropyl)methylidene]butanoic acid is CCC(C(=O)O)=C(N)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methylidene]butanoic acid?
The InChIKey is VKUCTROJEZNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-[amino(cyclopropyl)methylidene]butanoic acid?
2-[amino(cyclopropyl)methylidene]butanoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methylidene]butanoic acid is sourced from PubChem (CID 67810277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).