2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid

C15H26N2O3 — CID 116683147

IUPAC2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C)CCN(C(=O)N1CC(C(C)C(=O)O)C1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)6-7-17(13-4-5-13)15(20)16-8-12(9-16)11(3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyGHJXQAPMDDOWGA-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683147) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683147
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C)CCN(C(=O)N1CC(C(C)C(=O)O)C1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)6-7-17(13-4-5-13)15(20)16-8-12(9-16)11(3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyGHJXQAPMDDOWGA-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic 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

2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683147) is 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid is CC(C)CCN(C(=O)N1CC(C(C)C(=O)O)C1)C1CC1.
What is the InChIKey of 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is GHJXQAPMDDOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)6-7-17(13-4-5-13)15(20)16-8-12(9-16)11(3)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).