2-[(2-oxoazepan-3-yl)amino]propanamide

C9H17N3O2 — CID 43420603

IUPAC2-[(2-oxoazepan-3-yl)amino]propanamide
SMILESCC(NC1CCCCNC1=O)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(8(10)13)12-7-4-2-3-5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H2,10,13)(H,11,14)
InChIKeyANVQQOHDZNAMGZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.88
Rot. Bonds3

About 2-[(2-oxoazepan-3-yl)amino]propanamide

2-[(2-oxoazepan-3-yl)amino]propanamide (PubChem CID 43420603) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(2-oxoazepan-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-oxoazepan-3-yl)amino]propanamide
PubChem CID43420603
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(2-oxoazepan-3-yl)amino]propanamide
SMILESCC(NC1CCCCNC1=O)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(8(10)13)12-7-4-2-3-5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H2,10,13)(H,11,14)
InChIKeyANVQQOHDZNAMGZ-UHFFFAOYSA-N
XLogP-0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxoazepan-3-yl)amino]propanamide?
The IUPAC name of 2-[(2-oxoazepan-3-yl)amino]propanamide (CID 43420603) is 2-[(2-oxoazepan-3-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-oxoazepan-3-yl)amino]propanamide?
The canonical SMILES for 2-[(2-oxoazepan-3-yl)amino]propanamide is CC(NC1CCCCNC1=O)C(N)=O.
What is the InChIKey of 2-[(2-oxoazepan-3-yl)amino]propanamide?
The InChIKey is ANVQQOHDZNAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(8(10)13)12-7-4-2-3-5-11-9(7)14/h6-7,12H,2-5H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 2-[(2-oxoazepan-3-yl)amino]propanamide?
2-[(2-oxoazepan-3-yl)amino]propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxoazepan-3-yl)amino]propanamide is sourced from PubChem (CID 43420603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).