(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid

C11H20N2O3 — CID 101056620

IUPAC(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCN(C(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8-4-6-13(7-5-8)10(14)3-2-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFTIDSFOYAFCJLG-VIFPVBQESA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid

(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 101056620) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
PubChem CID101056620
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCN(C(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8-4-6-13(7-5-8)10(14)3-2-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyFTIDSFOYAFCJLG-VIFPVBQESA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 93031221
2-amino-5-(4-nitrooxypiperidin-1-yl)-5-oxopentanoic acid
CID 72979312
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 118245943
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
(3aR,6aS)-5-[(4S)-4-amino-4-carboxybutanoyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
CID 127037661
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
CID 174933136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (CID 101056620) is (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is CC1CCN(C(=O)CC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is FTIDSFOYAFCJLG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-4-6-13(7-5-8)10(14)3-2-9(12)11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 101056620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).