2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide

C10H21N3O2 — CID 143049101

IUPAC2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide
SMILESCN1CCCC(O)(CNC(=O)CN)CC1
InChIInChI=1S/C10H21N3O2/c1-13-5-2-3-10(15,4-6-13)8-12-9(14)7-11/h15H,2-8,11H2,1H3,(H,12,14)
InChIKeyKNXPYORPKBVGLK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.09
Rot. Bonds3

About 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide

2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide (PubChem CID 143049101) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide
PubChem CID143049101
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide
SMILESCN1CCCC(O)(CNC(=O)CN)CC1
InChIInChI=1S/C10H21N3O2/c1-13-5-2-3-10(15,4-6-13)8-12-9(14)7-11/h15H,2-8,11H2,1H3,(H,12,14)
InChIKeyKNXPYORPKBVGLK-UHFFFAOYSA-N
XLogP-1.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide (CID 143049101) is 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide is CN1CCCC(O)(CNC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide?
The InChIKey is KNXPYORPKBVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13-5-2-3-10(15,4-6-13)8-12-9(14)7-11/h15H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide?
2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide has a molecular weight of 215.30 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxy-1-methylazepan-4-yl)methyl]acetamide is sourced from PubChem (CID 143049101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).