2-cyclohexyl-2-(propylcarbamoylamino)acetic acid

C12H22N2O3 — CID 61014378

IUPAC2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
SMILESCCCNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-8-13-12(17)14-10(11(15)16)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNBGOVCJGSFBUIW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds5

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

2-cyclohexyl-2-(propylcarbamoylamino)acetic acid (PubChem CID 61014378) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
PubChem CID61014378
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
SMILESCCCNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-8-13-12(17)14-10(11(15)16)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyNBGOVCJGSFBUIW-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-propylurea
CID 61124824
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
CID 62711213
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
1-(2-amino-1-cyclopentylethyl)-3-propylurea
CID 106737729
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid (CID 61014378) is 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid is CCCNC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid?
The InChIKey is NBGOVCJGSFBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-8-13-12(17)14-10(11(15)16)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(propylcarbamoylamino)acetic acid is sourced from PubChem (CID 61014378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).