(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid

C6H12N2O3 — CID 10986537

IUPAC(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid
SMILESCN[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m1/s1
InChIKeyKSZFSNZOGAXEGH-SCSAIBSYSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds5

About (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid (PubChem CID 10986537) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid
PubChem CID10986537
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid
SMILESCN[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m1/s1
InChIKeyKSZFSNZOGAXEGH-SCSAIBSYSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid (CID 10986537) is (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid is CN[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid?
The InChIKey is KSZFSNZOGAXEGH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m1/s1.
What are the key properties of (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(methylamino)-5-oxopentanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 10986537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).