(4R)-4-amino-5-methoxy-5-oxopentanoic acid

C6H11NO4 — CID 54301988

IUPAC(4R)-4-amino-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeySEWIYICDCVPBEW-SCSAIBSYSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds4

About (4R)-4-amino-5-methoxy-5-oxopentanoic acid

(4R)-4-amino-5-methoxy-5-oxopentanoic acid (PubChem CID 54301988) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4R)-4-amino-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-methoxy-5-oxopentanoic acid
PubChem CID54301988
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(4R)-4-amino-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)[C@H](N)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeySEWIYICDCVPBEW-SCSAIBSYSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2S)-2-amino-6-methyl-5-oxoheptanoate
CID 58666346
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
CID 141485136
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl 2-aminopentanoate
CID 533890
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
4-amino-5-oxo-5-(2-oxopropanoyloxy)pentanoic acid
CID 19065649
(4S)-4-amino-4-methoxybutanoic acid
CID 146176394
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (4R)-4-amino-5-methoxy-5-oxopentanoic acid (CID 54301988) is (4R)-4-amino-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-amino-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-amino-5-methoxy-5-oxopentanoic acid is COC(=O)[C@H](N)CCC(=O)O.
What is the InChIKey of (4R)-4-amino-5-methoxy-5-oxopentanoic acid?
The InChIKey is SEWIYICDCVPBEW-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (4R)-4-amino-5-methoxy-5-oxopentanoic acid?
(4R)-4-amino-5-methoxy-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 54301988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).