2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid

C11H19NO2 — CID 114988242

IUPAC2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
SMILESCC(NCC1CCC1)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(10(13)14,9-5-6-9)12-7-8-3-2-4-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZOTOUWYDVYDEGB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds5

About 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid

2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid (PubChem CID 114988242) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
PubChem CID114988242
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
SMILESCC(NCC1CCC1)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO2/c1-11(10(13)14,9-5-6-9)12-7-8-3-2-4-8/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZOTOUWYDVYDEGB-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-[3-(ethylamino)propylamino]propanoic acid
CID 114988164
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 43754464
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
CID 114995374
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid (CID 114988242) is 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid is CC(NCC1CCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid?
The InChIKey is ZOTOUWYDVYDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(10(13)14,9-5-6-9)12-7-8-3-2-4-8/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid?
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 114988242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).