2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid

C14H26N2O3 — CID 55108414

IUPAC2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
SMILESCCC(C)CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-10(2)9-15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOAMKETHNNJUSOX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

About 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid

2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid (PubChem CID 55108414) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
PubChem CID55108414
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
SMILESCCC(C)CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-10(2)9-15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOAMKETHNNJUSOX-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid (CID 55108414) is 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid is CCC(C)CNC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid?
The InChIKey is OAMKETHNNJUSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-10(2)9-15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid is sourced from PubChem (CID 55108414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).