1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid

C15H28N2O3 — CID 115444412

IUPAC1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCCC(N)(CC)C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-15(16,4-2)12(18)17-11-14(13(19)20)9-7-5-6-8-10-14/h3-11,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWUUFJQJRUDEZFX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.05
Rot. Bonds6

About 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115444412) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID115444412
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESCCC(N)(CC)C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-15(16,4-2)12(18)17-11-14(13(19)20)9-7-5-6-8-10-14/h3-11,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWUUFJQJRUDEZFX-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid (CID 115444412) is 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid is CCC(N)(CC)C(=O)NCC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is WUUFJQJRUDEZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-15(16,4-2)12(18)17-11-14(13(19)20)9-7-5-6-8-10-14/h3-11,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-2-ethylbutanoyl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115444412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).