2-[3-(azepan-1-yl)propanoylamino]acetic acid

C11H20N2O3 — CID 52983762

IUPAC2-[3-(azepan-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCCCCC1
InChIInChI=1S/C11H20N2O3/c14-10(12-9-11(15)16)5-8-13-6-3-1-2-4-7-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyOSGIODGKBLTPNY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 2-[3-(azepan-1-yl)propanoylamino]acetic acid

2-[3-(azepan-1-yl)propanoylamino]acetic acid (PubChem CID 52983762) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)propanoylamino]acetic acid
PubChem CID52983762
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[3-(azepan-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCN1CCCCCC1
InChIInChI=1S/C11H20N2O3/c14-10(12-9-11(15)16)5-8-13-6-3-1-2-4-7-13/h1-9H2,(H,12,14)(H,15,16)
InChIKeyOSGIODGKBLTPNY-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
2-[3-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 39255217
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
2-[[2-[4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoylamino]acetyl]amino]acetic acid
CID 167073101
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
CID 52983761
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(azepan-1-yl)propanoylamino]acetic acid (CID 52983762) is 2-[3-(azepan-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(azepan-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(azepan-1-yl)propanoylamino]acetic acid is O=C(O)CNC(=O)CCN1CCCCCC1.
What is the InChIKey of 2-[3-(azepan-1-yl)propanoylamino]acetic acid?
The InChIKey is OSGIODGKBLTPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10(12-9-11(15)16)5-8-13-6-3-1-2-4-7-13/h1-9H2,(H,12,14)(H,15,16).
What are the key properties of 2-[3-(azepan-1-yl)propanoylamino]acetic acid?
2-[3-(azepan-1-yl)propanoylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 52983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).