3-amino-2-propylcyclobutane-1-carboxylic acid

C8H15NO2 — CID 123989356

IUPAC3-amino-2-propylcyclobutane-1-carboxylic acid
SMILESCCCC1C(N)CC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-5-6(8(10)11)4-7(5)9/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyXPLYIODPCCASID-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-2-propylcyclobutane-1-carboxylic acid

3-amino-2-propylcyclobutane-1-carboxylic acid (PubChem CID 123989356) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-2-propylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-propylcyclobutane-1-carboxylic acid
PubChem CID123989356
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-2-propylcyclobutane-1-carboxylic acid
SMILESCCCC1C(N)CC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-3-5-6(8(10)11)4-7(5)9/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyXPLYIODPCCASID-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-propylcyclobutane-1-carboxylic 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

4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
CID 59036872
3-methyl-4-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-dicarboxylic acid
CID 68564048
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
3,4-dibutyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-dicarboxylic acid
CID 68561223
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-propylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-amino-2-propylcyclobutane-1-carboxylic acid (CID 123989356) is 3-amino-2-propylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-propylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-amino-2-propylcyclobutane-1-carboxylic acid is CCCC1C(N)CC1C(=O)O.
What is the InChIKey of 3-amino-2-propylcyclobutane-1-carboxylic acid?
The InChIKey is XPLYIODPCCASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-5-6(8(10)11)4-7(5)9/h5-7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-2-propylcyclobutane-1-carboxylic acid?
3-amino-2-propylcyclobutane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-propylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 123989356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).