1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C11H18N2O3 — CID 64609550

IUPAC1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CNC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c14-9(5-8-6-12-7-8)13-11(10(15)16)3-1-2-4-11/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyVHMJYSZXFZTXID-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.11
Rot. Bonds4

About 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64609550) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64609550
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CNC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O3/c14-9(5-8-6-12-7-8)13-11(10(15)16)3-1-2-4-11/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyVHMJYSZXFZTXID-UHFFFAOYSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
1-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66426381
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 55121397

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 64609550) is 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CC1CNC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VHMJYSZXFZTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9(5-8-6-12-7-8)13-11(10(15)16)3-1-2-4-11/h8,12H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64609550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).