2,2-bis(azepan-1-yl)acetic acid

C14H26N2O2 — CID 68690871

IUPAC2,2-bis(azepan-1-yl)acetic acid
SMILESO=C(O)C(N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(18)13(15-9-5-1-2-6-10-15)16-11-7-3-4-8-12-16/h13H,1-12H2,(H,17,18)
InChIKeyDTYCRDGKFAGDKD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.15
Rot. Bonds3

About 2,2-bis(azepan-1-yl)acetic acid

2,2-bis(azepan-1-yl)acetic acid (PubChem CID 68690871) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2-bis(azepan-1-yl)acetic acid.

Molecular Properties

Compound Name2,2-bis(azepan-1-yl)acetic acid
PubChem CID68690871
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2,2-bis(azepan-1-yl)acetic acid
SMILESO=C(O)C(N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(18)13(15-9-5-1-2-6-10-15)16-11-7-3-4-8-12-16/h13H,1-12H2,(H,17,18)
InChIKeyDTYCRDGKFAGDKD-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(azepan-1-yl)acetic 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

(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
2-(azocan-1-yl)butanoic acid
CID 43808973
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
methyl 2,2-dipyrrolidin-1-ylacetate
CID 132553611
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
(2S)-2,5-diamino-5-piperidin-1-ylpentanoic acid
CID 142469236
4-methyl-2-piperidin-1-ylpentanoic acid;hydrobromide
CID 70074809

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(azepan-1-yl)acetic acid?
The IUPAC name of 2,2-bis(azepan-1-yl)acetic acid (CID 68690871) is 2,2-bis(azepan-1-yl)acetic acid.
What is the SMILES notation for 2,2-bis(azepan-1-yl)acetic acid?
The canonical SMILES for 2,2-bis(azepan-1-yl)acetic acid is O=C(O)C(N1CCCCCC1)N1CCCCCC1.
What is the InChIKey of 2,2-bis(azepan-1-yl)acetic acid?
The InChIKey is DTYCRDGKFAGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(18)13(15-9-5-1-2-6-10-15)16-11-7-3-4-8-12-16/h13H,1-12H2,(H,17,18).
What are the key properties of 2,2-bis(azepan-1-yl)acetic acid?
2,2-bis(azepan-1-yl)acetic acid has a molecular weight of 254.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(azepan-1-yl)acetic acid is sourced from PubChem (CID 68690871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).