2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid

C13H24N2O3 — CID 63997172

IUPAC2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-15(8-12(16)17)13(18)14-11-6-5-9(2)7-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeySVUGIFUKRNPINB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds4

About 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid

2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid (PubChem CID 63997172) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
PubChem CID63997172
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H24N2O3/c1-4-15(8-12(16)17)13(18)14-11-6-5-9(2)7-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeySVUGIFUKRNPINB-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378
3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111123429
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
3-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 63997577
2-[(3,5-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 64733515
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-[carboxymethyl-[(2-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 63644996
1,1-diethyl-3-(2-methylcyclopentyl)urea
CID 115613954
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
2-[[1-[(2,4-dimethylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122002019
4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid (CID 63997172) is 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)NC1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid?
The InChIKey is SVUGIFUKRNPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(8-12(16)17)13(18)14-11-6-5-9(2)7-10(11)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid?
2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid is sourced from PubChem (CID 63997172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).