2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid

C15H28N2O3 — CID 64702575

IUPAC2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
SMILESCCCN(CCC)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-10-17(11-4-2)14(20)16-15(12-13(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIRFWAZYLDBUTGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.00
Rot. Bonds7

About 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid

2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 64702575) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID64702575
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
SMILESCCCN(CCC)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-10-17(11-4-2)14(20)16-15(12-13(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIRFWAZYLDBUTGC-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[ethyl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700256
2-[1-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64700480
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842452
2-[1-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702253
2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 64686451

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid (CID 64702575) is 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid is CCCN(CCC)C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is IRFWAZYLDBUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-10-17(11-4-2)14(20)16-15(12-13(18)19)8-6-5-7-9-15/h3-12H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid?
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64702575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).