(2S)-2-amino-5-methoxy-5-oxopentanoate

C6H10NO4- — CID 21115276

IUPAC(2S)-2-amino-5-methoxy-5-oxopentanoate
SMILESCOC(=O)CC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/p-1/t4-/m0/s1
InChIKeyZGEYCCHDTIDZAE-BYPYZUCNSA-M
MW160.15 g/mol
LogP-1.98
Rot. Bonds4

About (2S)-2-amino-5-methoxy-5-oxopentanoate

(2S)-2-amino-5-methoxy-5-oxopentanoate (PubChem CID 21115276) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (2S)-2-amino-5-methoxy-5-oxopentanoate.

Molecular Properties

Compound Name(2S)-2-amino-5-methoxy-5-oxopentanoate
PubChem CID21115276
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(2S)-2-amino-5-methoxy-5-oxopentanoate
SMILESCOC(=O)CC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/p-1/t4-/m0/s1
InChIKeyZGEYCCHDTIDZAE-BYPYZUCNSA-M
XLogP-1.98
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-5-methoxy-5-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-methoxy-5-oxopentanoate?
The IUPAC name of (2S)-2-amino-5-methoxy-5-oxopentanoate (CID 21115276) is (2S)-2-amino-5-methoxy-5-oxopentanoate.
What is the SMILES notation for (2S)-2-amino-5-methoxy-5-oxopentanoate?
The canonical SMILES for (2S)-2-amino-5-methoxy-5-oxopentanoate is COC(=O)CC[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-5-methoxy-5-oxopentanoate?
The InChIKey is ZGEYCCHDTIDZAE-BYPYZUCNSA-M. The full InChI is InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/p-1/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-methoxy-5-oxopentanoate?
(2S)-2-amino-5-methoxy-5-oxopentanoate has a molecular weight of 160.15 g/mol, XLogP of -1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-methoxy-5-oxopentanoate is sourced from PubChem (CID 21115276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).