1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid

C12H21N3O4 — CID 61199319

IUPAC1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H21N3O4/c1-13-9(16)8-14-11(19)15-12(10(17)18)6-4-2-3-5-7-12/h2-8H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyIDNOKEACKQICPP-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.21
Rot. Bonds4

About 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid

1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 61199319) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID61199319
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H21N3O4/c1-13-9(16)8-14-11(19)15-12(10(17)18)6-4-2-3-5-7-12/h2-8H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyIDNOKEACKQICPP-UHFFFAOYSA-N
XLogP0.21
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444709
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16787443
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-[(1-methylsulfanylcyclopropyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114116883
1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 113464039
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid (CID 61199319) is 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid is CNC(=O)CNC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is IDNOKEACKQICPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-9(16)8-14-11(19)15-12(10(17)18)6-4-2-3-5-7-12/h2-8H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid?
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61199319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).