(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide

C11H19N3O3 — CID 99981602

IUPAC(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide
SMILESC[C@@H](C(=O)NC1COC1)N1C[C@@H](N)CCC1=O
InChIInChI=1S/C11H19N3O3/c1-7(11(16)13-9-5-17-6-9)14-4-8(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)/t7-,8-/m0/s1
InChIKeyFTJTZVWEXYCGAT-YUMQZZPRSA-N
MW241.29 g/mol
LogP-1.16
Rot. Bonds3

About (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide

(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide (PubChem CID 99981602) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide
PubChem CID99981602
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide
SMILESC[C@@H](C(=O)NC1COC1)N1C[C@@H](N)CCC1=O
InChIInChI=1S/C11H19N3O3/c1-7(11(16)13-9-5-17-6-9)14-4-8(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)/t7-,8-/m0/s1
InChIKeyFTJTZVWEXYCGAT-YUMQZZPRSA-N
XLogP-1.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-cyclopropylpropanamide
CID 99981545
(5S)-5-amino-1-propan-2-ylpiperidin-2-one
CID 95241415
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
2,3-dimethyl-4-(oxetan-3-ylamino)-4-oxobutanoic acid
CID 103498793
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
2-cyano-N-(oxetan-3-yl)propanamide
CID 163414148
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669418
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
5-amino-1-methylpiperidin-2-one;methane
CID 178188727
5-amino-1-methylpiperidin-2-one;hydrochloride
CID 67228252
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide?
The IUPAC name of (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide (CID 99981602) is (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide is C[C@@H](C(=O)NC1COC1)N1C[C@@H](N)CCC1=O.
What is the InChIKey of (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide?
The InChIKey is FTJTZVWEXYCGAT-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(11(16)13-9-5-17-6-9)14-4-8(12)2-3-10(14)15/h7-9H,2-6,12H2,1H3,(H,13,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide?
(2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide has a molecular weight of 241.29 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-5-amino-2-oxopiperidin-1-yl]-N-(oxetan-3-yl)propanamide is sourced from PubChem (CID 99981602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).