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

C11H20N2O3 — CID 18654101

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

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

(4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 18654101) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
PubChem CID18654101
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCN(C(=O)[C@@H](N)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8-4-6-13(7-5-8)11(16)9(12)2-3-10(14)15/h8-9H,2-7,12H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyADIOQSVUNQWNCS-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (CID 18654101) is (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is CC1CCN(C(=O)[C@@H](N)CCC(=O)O)CC1.
What is the InChIKey of (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is ADIOQSVUNQWNCS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-4-6-13(7-5-8)11(16)9(12)2-3-10(14)15/h8-9H,2-7,12H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
(4S)-4-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 (4S)-4-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 18654101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).