2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide

C9H17N3O2 — CID 114501145

IUPAC2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
SMILESCC1CN(CC(N)C(N)=O)CCC1=O
InChIInChI=1S/C9H17N3O2/c1-6-4-12(3-2-8(6)13)5-7(10)9(11)14/h6-7H,2-5,10H2,1H3,(H2,11,14)
InChIKeyMXPQZLCQTBLHRQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.29
Rot. Bonds3

About 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide

2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide (PubChem CID 114501145) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
PubChem CID114501145
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
SMILESCC1CN(CC(N)C(N)=O)CCC1=O
InChIInChI=1S/C9H17N3O2/c1-6-4-12(3-2-8(6)13)5-7(10)9(11)14/h6-7H,2-5,10H2,1H3,(H2,11,14)
InChIKeyMXPQZLCQTBLHRQ-UHFFFAOYSA-N
XLogP-1.29
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-one
CID 129445742
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151
ethyl 4-(3-methyl-4-oxopiperidin-1-yl)-3-oxobutanoate
CID 114501322
N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500179
(Z)-2-methyl-4-(3-methyl-4-oxopiperidin-1-yl)but-2-enoic acid
CID 114501182
N-methyl-4-(3-methyl-4-oxopiperidin-1-yl)butanamide
CID 114500379
1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one
CID 114500345
2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate
CID 114501184
N-(cyclopropylmethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500254
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopropanamide
CID 115561447

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide?
The IUPAC name of 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide (CID 114501145) is 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide is CC1CN(CC(N)C(N)=O)CCC1=O.
What is the InChIKey of 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide?
The InChIKey is MXPQZLCQTBLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6-4-12(3-2-8(6)13)5-7(10)9(11)14/h6-7H,2-5,10H2,1H3,(H2,11,14).
What are the key properties of 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide?
2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 114501145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).