2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid

C16H30N2O2 — CID 63623601

IUPAC2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
SMILESCC1CCCN(CCCC(C)(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-13-5-3-10-18(12-8-13)11-4-9-16(2,15(19)20)17-14-6-7-14/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyCWNCDXZYESQZMD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid

2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid (PubChem CID 63623601) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
PubChem CID63623601
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
SMILESCC1CCCN(CCCC(C)(NC2CC2)C(=O)O)CC1
InChIInChI=1S/C16H30N2O2/c1-13-5-3-10-18(12-8-13)11-4-9-16(2,15(19)20)17-14-6-7-14/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyCWNCDXZYESQZMD-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylhexanoic acid
CID 104960225
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylhexanoic acid
CID 104968645
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
CID 102966377

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid (CID 63623601) is 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid is CC1CCCN(CCCC(C)(NC2CC2)C(=O)O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid?
The InChIKey is CWNCDXZYESQZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-5-3-10-18(12-8-13)11-4-9-16(2,15(19)20)17-14-6-7-14/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid?
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid is sourced from PubChem (CID 63623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).