2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid

C12H21N3O4 — CID 61199133

IUPAC2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
SMILESCNC(=O)CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21N3O4/c1-13-9(16)7-14-12(19)15-10(11(17)18)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyBCTUEQFWICWDON-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.07
Rot. Bonds5

About 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid

2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid (PubChem CID 61199133) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
PubChem CID61199133
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
SMILESCNC(=O)CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H21N3O4/c1-13-9(16)7-14-12(19)15-10(11(17)18)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyBCTUEQFWICWDON-UHFFFAOYSA-N
XLogP0.07
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
(2R)-3-hydroxy-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 80756456
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid (CID 61199133) is 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid is CNC(=O)CNC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid?
The InChIKey is BCTUEQFWICWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-9(16)7-14-12(19)15-10(11(17)18)8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid?
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid is sourced from PubChem (CID 61199133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).