acetic acid;3-aminopiperidin-2-one

C7H14N2O3 — CID 139269691

IUPACacetic acid;3-aminopiperidin-2-one
SMILESCC(=O)O.NC1CCCNC1=O
InChIInChI=1S/C5H10N2O.C2H4O2/c6-4-2-1-3-7-5(4)8;1-2(3)4/h4H,1-3,6H2,(H,7,8);1H3,(H,3,4)
InChIKeyHADNULNRTAVUQU-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds

About acetic acid;3-aminopiperidin-2-one

acetic acid;3-aminopiperidin-2-one (PubChem CID 139269691) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is acetic acid;3-aminopiperidin-2-one.

Molecular Properties

Compound Nameacetic acid;3-aminopiperidin-2-one
PubChem CID139269691
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameacetic acid;3-aminopiperidin-2-one
SMILESCC(=O)O.NC1CCCNC1=O
InChIInChI=1S/C5H10N2O.C2H4O2/c6-4-2-1-3-7-5(4)8;1-2(3)4/h4H,1-3,6H2,(H,7,8);1H3,(H,3,4)
InChIKeyHADNULNRTAVUQU-UHFFFAOYSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-aminopyrrolidin-2-one
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(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
benzyl 7-amino-6-oxo-1,5-diazacycloundecane-1-carboxylate
CID 70056885
3-amino-4-(2-methyl-3-phenylprop-2-enoyl)azepan-2-one
CID 150473954
(3S)-3-hydroxypiperidin-2-one;hydrochloride
CID 154574764
1-(2-oxopiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 83876182
3,3-dimethylbutan-2-one;3-(2,2-dimethylpropyl)piperidin-2-one;3-(2,2-dimethylpropyl)pyrrolidin-2-one
CID 162064096
13-amino-5-methyl-1,4,8-triazacyclotetradecane-3,7,14-trione
CID 155450064

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-aminopiperidin-2-one?
The IUPAC name of acetic acid;3-aminopiperidin-2-one (CID 139269691) is acetic acid;3-aminopiperidin-2-one.
What is the SMILES notation for acetic acid;3-aminopiperidin-2-one?
The canonical SMILES for acetic acid;3-aminopiperidin-2-one is CC(=O)O.NC1CCCNC1=O.
What is the InChIKey of acetic acid;3-aminopiperidin-2-one?
The InChIKey is HADNULNRTAVUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2H4O2/c6-4-2-1-3-7-5(4)8;1-2(3)4/h4H,1-3,6H2,(H,7,8);1H3,(H,3,4).
What are the key properties of acetic acid;3-aminopiperidin-2-one?
acetic acid;3-aminopiperidin-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-aminopiperidin-2-one is sourced from PubChem (CID 139269691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).