2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid

C10H17NO2 — CID 141301740

IUPAC2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid
SMILESCC(C)(C/C=N/CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO2/c1-10(2,8-3-4-8)5-6-11-7-9(12)13/h6,8H,3-5,7H2,1-2H3,(H,12,13)/b11-6+
InChIKeyDCOLLLBQDMBQAL-IZZDOVSWSA-N
MW183.25 g/mol
LogP1.97
Rot. Bonds5

About 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid

2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid (PubChem CID 141301740) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid
PubChem CID141301740
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid
SMILESCC(C)(C/C=N/CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO2/c1-10(2,8-3-4-8)5-6-11-7-9(12)13/h6,8H,3-5,7H2,1-2H3,(H,12,13)/b11-6+
InChIKeyDCOLLLBQDMBQAL-IZZDOVSWSA-N
XLogP1.97
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid (CID 141301740) is 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid is CC(C)(C/C=N/CC(=O)O)C1CC1.
What is the InChIKey of 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid?
The InChIKey is DCOLLLBQDMBQAL-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,8-3-4-8)5-6-11-7-9(12)13/h6,8H,3-5,7H2,1-2H3,(H,12,13)/b11-6+.
What are the key properties of 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid?
2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-3-methylbutylidene)amino]acetic acid is sourced from PubChem (CID 141301740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).