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

C17H32N2O2 — CID 106806245

IUPAC2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
SMILESCCC(CCCN1CCCC(C)CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-17(16(20)21,18-15-7-8-15)10-5-12-19-11-4-6-14(2)9-13-19/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyNXKXGTFKLMBSQA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds8

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

2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid (PubChem CID 106806245) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
PubChem CID106806245
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
SMILESCCC(CCCN1CCCC(C)CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-17(16(20)21,18-15-7-8-15)10-5-12-19-11-4-6-14(2)9-13-19/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyNXKXGTFKLMBSQA-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 63623601
2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid
CID 106805862
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
CID 106805841
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid (CID 106806245) is 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid is CCC(CCCN1CCCC(C)CC1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid?
The InChIKey is NXKXGTFKLMBSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-17(16(20)21,18-15-7-8-15)10-5-12-19-11-4-6-14(2)9-13-19/h14-15,18H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid?
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid is sourced from PubChem (CID 106806245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).