2-amino-5-methoxypentanoic acid

C6H13NO3 — CID 18361135

IUPAC2-amino-5-methoxypentanoic acid
SMILESCOCCCC(N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyHBSSLDFHKZLODB-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-5-methoxypentanoic acid

2-amino-5-methoxypentanoic acid (PubChem CID 18361135) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-amino-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-amino-5-methoxypentanoic acid
PubChem CID18361135
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-amino-5-methoxypentanoic acid
SMILESCOCCCC(N)C(=O)O
InChIInChI=1S/C6H13NO3/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyHBSSLDFHKZLODB-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
2-amino-5-(2-oxopropoxy)pentanoic acid
CID 88585596
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxypentanoic acid?
The IUPAC name of 2-amino-5-methoxypentanoic acid (CID 18361135) is 2-amino-5-methoxypentanoic acid.
What is the SMILES notation for 2-amino-5-methoxypentanoic acid?
The canonical SMILES for 2-amino-5-methoxypentanoic acid is COCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-methoxypentanoic acid?
The InChIKey is HBSSLDFHKZLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-amino-5-methoxypentanoic acid?
2-amino-5-methoxypentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxypentanoic acid is sourced from PubChem (CID 18361135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).