2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid

C17H32N2O2 — CID 104691548

IUPAC2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
SMILESCCC1CCCCCN1C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-4-15-8-6-5-7-11-19(15)13(2)12-17(3,16(20)21)18-14-9-10-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyFHBXAFVTMNMXPP-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.01
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid

2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid (PubChem CID 104691548) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
PubChem CID104691548
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
SMILESCCC1CCCCCN1C(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-4-15-8-6-5-7-11-19(15)13(2)12-17(3,16(20)21)18-14-9-10-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyFHBXAFVTMNMXPP-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316
4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 104691662
4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
3-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 104691653
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid (CID 104691548) is 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid is CCC1CCCCCN1C(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid?
The InChIKey is FHBXAFVTMNMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-15-8-6-5-7-11-19(15)13(2)12-17(3,16(20)21)18-14-9-10-14/h13-15,18H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid?
2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid has a molecular weight of 296.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 104691548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).