(4S)-4-amino-3-hydroxyazepan-2-one

C6H12N2O2 — CID 130420309

IUPAC(4S)-4-amino-3-hydroxyazepan-2-one
SMILESN[C@H]1CCCNC(=O)C1O
InChIInChI=1S/C6H12N2O2/c7-4-2-1-3-8-6(10)5(4)9/h4-5,9H,1-3,7H2,(H,8,10)/t4-,5?/m0/s1
InChIKeyJMRQGWPASHMYBX-ROLXFIACSA-N
MW144.17 g/mol
LogP-1.42
Rot. Bonds

About (4S)-4-amino-3-hydroxyazepan-2-one

(4S)-4-amino-3-hydroxyazepan-2-one (PubChem CID 130420309) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S)-4-amino-3-hydroxyazepan-2-one.

Molecular Properties

Compound Name(4S)-4-amino-3-hydroxyazepan-2-one
PubChem CID130420309
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4S)-4-amino-3-hydroxyazepan-2-one
SMILESN[C@H]1CCCNC(=O)C1O
InChIInChI=1S/C6H12N2O2/c7-4-2-1-3-8-6(10)5(4)9/h4-5,9H,1-3,7H2,(H,8,10)/t4-,5?/m0/s1
InChIKeyJMRQGWPASHMYBX-ROLXFIACSA-N
XLogP-1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
acetic acid;3-aminopiperidin-2-one
CID 139269691
3-aminoazepan-2-one;nickel
CID 88838711
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
3-(2-aminocyclopentyl)oxyazepan-2-one
CID 106938939
3-(2-aminocyclohexyl)oxyazepan-2-one
CID 106938972
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
3-aminopyrrolidin-2-one
CID 158709416
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
3-hydroxy-4-(propan-2-ylamino)piperidin-2-one
CID 169259074

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3-hydroxyazepan-2-one?
The IUPAC name of (4S)-4-amino-3-hydroxyazepan-2-one (CID 130420309) is (4S)-4-amino-3-hydroxyazepan-2-one.
What is the SMILES notation for (4S)-4-amino-3-hydroxyazepan-2-one?
The canonical SMILES for (4S)-4-amino-3-hydroxyazepan-2-one is N[C@H]1CCCNC(=O)C1O.
What is the InChIKey of (4S)-4-amino-3-hydroxyazepan-2-one?
The InChIKey is JMRQGWPASHMYBX-ROLXFIACSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-4-2-1-3-8-6(10)5(4)9/h4-5,9H,1-3,7H2,(H,8,10)/t4-,5?/m0/s1.
What are the key properties of (4S)-4-amino-3-hydroxyazepan-2-one?
(4S)-4-amino-3-hydroxyazepan-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3-hydroxyazepan-2-one is sourced from PubChem (CID 130420309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).