2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid

C15H26N2O3 — CID 116683383

IUPAC2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NC2CCC(C)(C)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-10(13(18)19)11-8-17(9-11)14(20)16-12-4-6-15(2,3)7-5-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySNGGZIWQDZQTCW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

About 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683383) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683383
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NC2CCC(C)(C)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-10(13(18)19)11-8-17(9-11)14(20)16-12-4-6-15(2,3)7-5-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySNGGZIWQDZQTCW-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616083
2-[1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682817
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 114549086
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116682193
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114117120
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683383) is 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NC2CCC(C)(C)CC2)C1.
What is the InChIKey of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is SNGGZIWQDZQTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(13(18)19)11-8-17(9-11)14(20)16-12-4-6-15(2,3)7-5-12/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).