3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid

C15H28N2O3 — CID 64700488

IUPAC3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
SMILESCCCC1CCC(NC(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-11-6-8-12(9-7-11)16-14(20)17-15(2,3)10-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVHUGJRNTIRYOSN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds6

About 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid

3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid (PubChem CID 64700488) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
PubChem CID64700488
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
SMILESCCCC1CCC(NC(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-11-6-8-12(9-7-11)16-14(20)17-15(2,3)10-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyVHUGJRNTIRYOSN-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid (CID 64700488) is 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid is CCCC1CCC(NC(=O)NC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid?
The InChIKey is VHUGJRNTIRYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-11-6-8-12(9-7-11)16-14(20)17-15(2,3)10-13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid?
3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 64700488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).