1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid

C7H12N2O3 — CID 81167542

IUPAC1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C7H12N2O3/c8-5(10)4-9-7(6(11)12)2-1-3-7/h9H,1-4H2,(H2,8,10)(H,11,12)
InChIKeySUXCLJPFIPIISX-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.93
Rot. Bonds4

About 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid

1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81167542) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81167542
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
SMILESNC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C7H12N2O3/c8-5(10)4-9-7(6(11)12)2-1-3-7/h9H,1-4H2,(H2,8,10)(H,11,12)
InChIKeySUXCLJPFIPIISX-UHFFFAOYSA-N
XLogP-0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
4-[(2-amino-2-oxoethyl)amino]oxane-4-carboxylic acid
CID 82238247
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168087
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
CID 81167570
1-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167638
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167795

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid (CID 81167542) is 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid is NC(=O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is SUXCLJPFIPIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-5(10)4-9-7(6(11)12)2-1-3-7/h9H,1-4H2,(H2,8,10)(H,11,12).
What are the key properties of 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).