1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid

C10H14N2O3 — CID 81167570

IUPAC1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
SMILESC#CCNC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C10H14N2O3/c1-2-6-11-8(13)7-12-10(9(14)15)4-3-5-10/h1,12H,3-7H2,(H,11,13)(H,14,15)
InChIKeyZXIKBCJBHTUZJA-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.67
Rot. Bonds5

About 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81167570) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81167570
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid
SMILESC#CCNC(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C10H14N2O3/c1-2-6-11-8(13)7-12-10(9(14)15)4-3-5-10/h1,12H,3-7H2,(H,11,13)(H,14,15)
InChIKeyZXIKBCJBHTUZJA-UHFFFAOYSA-N
XLogP-0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167653
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166941
1-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167638
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclohexyl]-N-prop-2-ynylacetamide
CID 56827421
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81168087

Frequently Asked Questions

What is the IUPAC name of 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid (CID 81167570) is 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid is C#CCNC(=O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZXIKBCJBHTUZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-11-8(13)7-12-10(9(14)15)4-3-5-10/h1,12H,3-7H2,(H,11,13)(H,14,15).
What are the key properties of 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-oxo-2-(prop-2-ynylamino)ethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).