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

C11H20N2O3 — CID 58836629

IUPAC(4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1(C)CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-3-7-13(11)10(16)8(12)4-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyKZJQFDLKRHJSBV-QMMMGPOBSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds4

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

(4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid (PubChem CID 58836629) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid
PubChem CID58836629
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1(C)CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-3-7-13(11)10(16)8(12)4-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyKZJQFDLKRHJSBV-QMMMGPOBSA-N
XLogP0.58
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 ≤ 50.58
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-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid (CID 58836629) is (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid is CC1(C)CCCN1C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid?
The InChIKey is KZJQFDLKRHJSBV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2)6-3-7-13(11)10(16)8(12)4-5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid?
(4S)-4-amino-5-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 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-(2,2-dimethylpyrrolidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 58836629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).