2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid

C16H29NO3 — CID 115910343

IUPAC2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-3-16(4-2,15(19)20)12-17-14(18)11-13-9-7-5-6-8-10-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySYLONQHZAZPCKM-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds7

About 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid

2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115910343) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115910343
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CC1CCCCCC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-3-16(4-2,15(19)20)12-17-14(18)11-13-9-7-5-6-8-10-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySYLONQHZAZPCKM-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
CID 90599459
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid (CID 115910343) is 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)CC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is SYLONQHZAZPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-16(4-2,15(19)20)12-17-14(18)11-13-9-7-5-6-8-10-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).