(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one

C10H20N2O — CID 79025192

IUPAC(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C10H20N2O/c1-3-9(11)10(13)12-6-4-5-8(2)7-12/h8-9H,3-7,11H2,1-2H3/t8?,9-/m0/s1
InChIKeyGWHLVUQRGJGHMQ-GKAPJAKFSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds2

About (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one

(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one (PubChem CID 79025192) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
PubChem CID79025192
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C10H20N2O/c1-3-9(11)10(13)12-6-4-5-8(2)7-12/h8-9H,3-7,11H2,1-2H3/t8?,9-/m0/s1
InChIKeyGWHLVUQRGJGHMQ-GKAPJAKFSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
(2S)-2-amino-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one;dihydrochloride
CID 119858299
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one (CID 79025192) is (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCCC(C)C1.
What is the InChIKey of (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is GWHLVUQRGJGHMQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-9(11)10(13)12-6-4-5-8(2)7-12/h8-9H,3-7,11H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one?
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 79025192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).