3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid

C15H26N2O3 — CID 82002968

IUPAC3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCCCC1CNC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-2-3-5-12(10)9-16-15(20)17-13(8-14(18)19)11-6-7-11/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGLSHAYKESYYBRN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds6

About 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid

3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid (PubChem CID 82002968) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
PubChem CID82002968
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCCCC1CNC(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-10-4-2-3-5-12(10)9-16-15(20)17-13(8-14(18)19)11-6-7-11/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGLSHAYKESYYBRN-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
3-cyclopropyl-3-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 82002423
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
CID 82003378
(E)-4-[(2-methylcyclohexyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 55011790

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid (CID 82002968) is 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid is CC1CCCCC1CNC(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The InChIKey is GLSHAYKESYYBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-4-2-3-5-12(10)9-16-15(20)17-13(8-14(18)19)11-6-7-11/h10-13H,2-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 82002968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).