2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid

C16H29NO3 — CID 63920746

IUPAC2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyHHYHVNDEOGMOBC-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.81
Rot. Bonds8

About 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid

2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid (PubChem CID 63920746) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
PubChem CID63920746
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
SMILESCCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyHHYHVNDEOGMOBC-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanamide
CID 63921207
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
2-cyclopropyl-3-(2-methylcyclohexyl)oxy-2-(propylamino)propanamide
CID 63919362
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 63925030
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid (CID 63920746) is 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid is CCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?
The InChIKey is HHYHVNDEOGMOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?
2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid is sourced from PubChem (CID 63920746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).