2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid

C16H32N2O2 — CID 106806311

IUPAC2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
SMILESCCCC1CCCN(CCCC(N)(CC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-7-14-8-5-11-18(13-9-14)12-6-10-16(17,4-2)15(19)20/h14H,3-13,17H2,1-2H3,(H,19,20)
InChIKeyHUZPTIZXDJHWTL-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.86
Rot. Bonds8

About 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid

2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid (PubChem CID 106806311) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
PubChem CID106806311
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
SMILESCCCC1CCCN(CCCC(N)(CC)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-7-14-8-5-11-18(13-9-14)12-6-10-16(17,4-2)15(19)20/h14H,3-13,17H2,1-2H3,(H,19,20)
InChIKeyHUZPTIZXDJHWTL-UHFFFAOYSA-N
XLogP2.86
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
2-amino-2-methyl-6-(4-propylpiperidin-1-yl)hexanoic acid
CID 62206651
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
CID 106803746
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209
2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 106806356
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-amino-2-methyl-4-(4-propylpiperidin-1-yl)butanamide
CID 62205252
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
1-amino-4-(4-propylazepan-1-yl)butan-2-ol
CID 64821373
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid (CID 106806311) is 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid is CCCC1CCCN(CCCC(N)(CC)C(=O)O)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid?
The InChIKey is HUZPTIZXDJHWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-7-14-8-5-11-18(13-9-14)12-6-10-16(17,4-2)15(19)20/h14H,3-13,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid?
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid is sourced from PubChem (CID 106806311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).