2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid

C17H31NO3 — CID 64746960

IUPAC2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OC1CCC(C)C(C)C1
InChIInChI=1S/C17H31NO3/c1-11-5-8-15(9-12(11)2)21-13(3)10-17(4,16(19)20)18-14-6-7-14/h11-15,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyDPPRLRAPJKKZHQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.20
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid

2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid (PubChem CID 64746960) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
PubChem CID64746960
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)OC1CCC(C)C(C)C1
InChIInChI=1S/C17H31NO3/c1-11-5-8-15(9-12(11)2)21-13(3)10-17(4,16(19)20)18-14-6-7-14/h11-15,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyDPPRLRAPJKKZHQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66276576
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64720679
2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
CID 64746754
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
2-methyl-2-(methylamino)-4-(3-methylcyclohexyl)oxypentanamide
CID 64707548

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid (CID 64746960) is 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)OC1CCC(C)C(C)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid?
The InChIKey is DPPRLRAPJKKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-11-5-8-15(9-12(11)2)21-13(3)10-17(4,16(19)20)18-14-6-7-14/h11-15,18H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid?
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid is sourced from PubChem (CID 64746960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).