(3S)-3-amino-1-methylazepan-2-one

C7H14N2O — CID 14003483

IUPAC(3S)-3-amino-1-methylazepan-2-one
SMILESCN1CCCC[C@H](N)C1=O
InChIInChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyGSUTYTQBQFQORF-LURJTMIESA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds

About (3S)-3-amino-1-methylazepan-2-one

(3S)-3-amino-1-methylazepan-2-one (PubChem CID 14003483) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S)-3-amino-1-methylazepan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-methylazepan-2-one
PubChem CID14003483
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3S)-3-amino-1-methylazepan-2-one
SMILESCN1CCCC[C@H](N)C1=O
InChIInChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyGSUTYTQBQFQORF-LURJTMIESA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

D-2-Aminohexano-6-lactam
CID 439823
L-2-aminohexano-6-lactam
CID 440599
2H-Azepin-2-one, 3-aminohexahydro-
CID 102463
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
(S)-2-amino-1-(pyrrolidin-1-yl)hexan-1-one
CID 44560851
N-(2-oxoazepan-3-yl)acetamide
CID 14289832
3-(dimethylamino)hexahydro-2H-azepin-2-one
CID 112206
L-alpha-Amino-epsilon-caprolactam hydrochloride
CID 12228560
hexahydro-3-(methylamino)-2H-azepin-2-one
CID 6455199
(S)-2-Amino-hexanoic acid pentylamide
CID 44403370
1-((S)-2-aminobutanoyl)-N-butylazepane-2-carboxamide
CID 44421592
N-(2-oxoazepan-3-yl)formamide
CID 19027558

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-methylazepan-2-one?
The IUPAC name of (3S)-3-amino-1-methylazepan-2-one (CID 14003483) is (3S)-3-amino-1-methylazepan-2-one.
What is the SMILES notation for (3S)-3-amino-1-methylazepan-2-one?
The canonical SMILES for (3S)-3-amino-1-methylazepan-2-one is CN1CCCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-methylazepan-2-one?
The InChIKey is GSUTYTQBQFQORF-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-methylazepan-2-one?
(3S)-3-amino-1-methylazepan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-methylazepan-2-one is sourced from PubChem (CID 14003483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).