6-methyl-1,4-diazepane-1-carboxylic acid

C7H14N2O2 — CID 90022052

IUPAC6-methyl-1,4-diazepane-1-carboxylic acid
SMILESCC1CNCCN(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-6-4-8-2-3-9(5-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyJHKFCFHKMURLPJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.21
Rot. Bonds

About 6-methyl-1,4-diazepane-1-carboxylic acid

6-methyl-1,4-diazepane-1-carboxylic acid (PubChem CID 90022052) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-methyl-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1,4-diazepane-1-carboxylic acid
PubChem CID90022052
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name6-methyl-1,4-diazepane-1-carboxylic acid
SMILESCC1CNCCN(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c1-6-4-8-2-3-9(5-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyJHKFCFHKMURLPJ-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1,4-diazepane-1-carboxylic 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

1-(6-methyl-1,4-diazepan-1-yl)but-3-yn-1-one
CID 130655199
2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
CID 153358615
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-(benzenesulfonyl)-1-(9-methyl-1,4,7-triazecan-1-yl)propan-1-one
CID 138668425
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
(3S)-piperazine-1,3-dicarboxylic acid
CID 68637111
1-ethylsulfinyl-6-methyl-1,4-diazepane
CID 130948915
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795
1-methyl-1,4-diazepane-6-carboxylic acid
CID 23090475
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diazepane-1-carboxylic acid?
The IUPAC name of 6-methyl-1,4-diazepane-1-carboxylic acid (CID 90022052) is 6-methyl-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for 6-methyl-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for 6-methyl-1,4-diazepane-1-carboxylic acid is CC1CNCCN(C(=O)O)C1.
What is the InChIKey of 6-methyl-1,4-diazepane-1-carboxylic acid?
The InChIKey is JHKFCFHKMURLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6-4-8-2-3-9(5-6)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 6-methyl-1,4-diazepane-1-carboxylic acid?
6-methyl-1,4-diazepane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 90022052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).