2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid

C13H22N2O3 — CID 114101498

IUPAC2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCCCC1(CNC(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-3-13(4-5-13)9-14-12(18)15-7-10(8-15)6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyFSTVCTBCERJUBE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds6

About 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 114101498) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID114101498
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCCCC1(CNC(=O)N2CC(CC(=O)O)C2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-3-13(4-5-13)9-14-12(18)15-7-10(8-15)6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyFSTVCTBCERJUBE-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43371322
1-(Cyclopropylmethylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
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CID 63123351
1-(Cyclopropylmethylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126240
4-[[Cyclopentylmethyl(methyl)carbamoyl]amino]butanoic acid
CID 63656563
4-[(1-Methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 63830341
4-[Methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
CID 63831256
4-[[Methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 63860049
4-[1-Cyclopropylpropan-2-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 63993969
4-[1-Cyclopropylpropan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 63994366
1-(1-Cyclopropylpropan-2-ylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63994566
1-(1-Cyclopropylpropan-2-ylcarbamoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63995147

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid (CID 114101498) is 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid is CCCC1(CNC(=O)N2CC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is FSTVCTBCERJUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-13(4-5-13)9-14-12(18)15-7-10(8-15)6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 114101498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).