2-amino-4-methoxypentanoic acid

C6H13NO3 — CID 21255646

IUPAC2-amino-4-methoxypentanoic acid
SMILESCOC(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(10-2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyAZGHNRRXYCERMU-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-4-methoxypentanoic acid

2-amino-4-methoxypentanoic acid (PubChem CID 21255646) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-amino-4-methoxypentanoic acid.

Molecular Properties

Compound Name2-amino-4-methoxypentanoic acid
PubChem CID21255646
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-amino-4-methoxypentanoic acid
SMILESCOC(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(10-2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyAZGHNRRXYCERMU-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4,4-dimethoxybutanoic acid
CID 20649849
(2S,4R)-2-amino-4-ethoxypentanoic acid
CID 87418096
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2R)-2-amino-4-propoxypentanoic acid
CID 89091737
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
CID 6369563
CID 6369563
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxypentanoic acid?
The IUPAC name of 2-amino-4-methoxypentanoic acid (CID 21255646) is 2-amino-4-methoxypentanoic acid.
What is the SMILES notation for 2-amino-4-methoxypentanoic acid?
The canonical SMILES for 2-amino-4-methoxypentanoic acid is COC(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methoxypentanoic acid?
The InChIKey is AZGHNRRXYCERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(10-2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-4-methoxypentanoic acid?
2-amino-4-methoxypentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxypentanoic acid is sourced from PubChem (CID 21255646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).