6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid

C16H30N2O3 — CID 65288885

IUPAC6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCC(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-13(16(20)21)8-7-9-14(2)17-12-15(19)18-10-5-3-4-6-11-18/h13-14,17H,3-12H2,1-2H3,(H,20,21)
InChIKeyACZJZWLBWZVZRZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds8

About 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid

6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid (PubChem CID 65288885) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
PubChem CID65288885
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCC(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-13(16(20)21)8-7-9-14(2)17-12-15(19)18-10-5-3-4-6-11-18/h13-14,17H,3-12H2,1-2H3,(H,20,21)
InChIKeyACZJZWLBWZVZRZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid?
The IUPAC name of 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid (CID 65288885) is 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NCC(=O)N1CCCCCC1.
What is the InChIKey of 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid?
The InChIKey is ACZJZWLBWZVZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(16(20)21)8-7-9-14(2)17-12-15(19)18-10-5-3-4-6-11-18/h13-14,17H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid?
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid is sourced from PubChem (CID 65288885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).