2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

C14H24N2O3 — CID 107414675

IUPAC2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC1CCC(CNC(=O)N2CC(C(C)C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-9-3-4-11(5-9)6-15-14(19)16-7-12(8-16)10(2)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGIUDKSLFDRZRLQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 107414675) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID107414675
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC1CCC(CNC(=O)N2CC(C(C)C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-9-3-4-11(5-9)6-15-14(19)16-7-12(8-16)10(2)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGIUDKSLFDRZRLQ-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 107414464
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830
(3-methylcyclopentyl)methylurea
CID 20542807
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 107414675) is 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is CC1CCC(CNC(=O)N2CC(C(C)C(=O)O)C2)C1.
What is the InChIKey of 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is GIUDKSLFDRZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-3-4-11(5-9)6-15-14(19)16-7-12(8-16)10(2)13(17)18/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 107414675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).