2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid

C10H20N2O5 — CID 114145147

IUPAC2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-5-3-4-7(10(14)15)12-9(13)8(6-11)17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHQXYVUHJKOCQQK-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.04
Rot. Bonds9

About 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid

2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid (PubChem CID 114145147) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
PubChem CID114145147
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-5-3-4-7(10(14)15)12-9(13)8(6-11)17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHQXYVUHJKOCQQK-UHFFFAOYSA-N
XLogP-1.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]butanoic acid
CID 106113366
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-5-methoxypentanoic acid
CID 81078633
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-5-methoxypentanoic acid
CID 115432700

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid (CID 114145147) is 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)C(CN)OC)C(=O)O.
What is the InChIKey of 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid?
The InChIKey is HQXYVUHJKOCQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-16-5-3-4-7(10(14)15)12-9(13)8(6-11)17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid?
2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methoxypropanoyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 114145147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).