2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid

C16H30N2O3 — CID 64701474

IUPAC2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
SMILESCC(N(C)C(=O)NC1(CC(=O)O)CCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12(15(2,3)4)18(5)14(21)17-16(11-13(19)20)9-7-6-8-10-16/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyYHRNUHVIPZVGJV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds4

About 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid

2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid (PubChem CID 64701474) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
PubChem CID64701474
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
SMILESCC(N(C)C(=O)NC1(CC(=O)O)CCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12(15(2,3)4)18(5)14(21)17-16(11-13(19)20)9-7-6-8-10-16/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyYHRNUHVIPZVGJV-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-[[2-methoxypropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 112754573
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclopentyl]acetic acid
CID 64700888
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid (CID 64701474) is 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid is CC(N(C)C(=O)NC1(CC(=O)O)CCCCC1)C(C)(C)C.
What is the InChIKey of 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid?
The InChIKey is YHRNUHVIPZVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(15(2,3)4)18(5)14(21)17-16(11-13(19)20)9-7-6-8-10-16/h12H,6-11H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid?
2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).