2-[azepan-4-yl(methyl)amino]acetic acid

C9H18N2O2 — CID 107173147

IUPAC2-[azepan-4-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCNCC1
InChIInChI=1S/C9H18N2O2/c1-11(7-9(12)13)8-3-2-5-10-6-4-8/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyWNUOSBICDBXEOH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds3

About 2-[azepan-4-yl(methyl)amino]acetic acid

2-[azepan-4-yl(methyl)amino]acetic acid (PubChem CID 107173147) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]acetic acid
PubChem CID107173147
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[azepan-4-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCNCC1
InChIInChI=1S/C9H18N2O2/c1-11(7-9(12)13)8-3-2-5-10-6-4-8/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyWNUOSBICDBXEOH-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
CID 106439564
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]acetic acid (CID 107173147) is 2-[azepan-4-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]acetic acid is CN(CC(=O)O)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]acetic acid?
The InChIKey is WNUOSBICDBXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(7-9(12)13)8-3-2-5-10-6-4-8/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[azepan-4-yl(methyl)amino]acetic acid?
2-[azepan-4-yl(methyl)amino]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]acetic acid is sourced from PubChem (CID 107173147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).