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

C11H18N2O3 — CID 64616008

IUPAC2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC2CCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)4-9-6-13(7-9)11(16)12-5-8-2-1-3-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyWGWPPZJKSOEXNQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds4

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

2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64616008) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64616008
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCC2CCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(15)4-9-6-13(7-9)11(16)12-5-8-2-1-3-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyWGWPPZJKSOEXNQ-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
2-[1-[(2-methylcyclopentyl)methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 107420016
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 79082565
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
2-[1-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 81040817
2-[1-(thiolan-2-ylmethylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 80586458
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid (CID 64616008) is 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCC2CCC2)C1.
What is the InChIKey of 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is WGWPPZJKSOEXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(15)4-9-6-13(7-9)11(16)12-5-8-2-1-3-8/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).