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

C9H18N2O4 — CID 81088250

IUPAC5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
SMILESCOCC(N)C(=O)NCCCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-15-6-7(10)9(14)11-5-3-2-4-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyRJRLGAXWLNRBAC-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds8

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

5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid (PubChem CID 81088250) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
PubChem CID81088250
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
SMILESCOCC(N)C(=O)NCCCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-15-6-7(10)9(14)11-5-3-2-4-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyRJRLGAXWLNRBAC-UHFFFAOYSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-amino-3-methoxypropanoyl)amino]butanoate
CID 81089164
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
8-[[2-amino-3-[[2-amino-3-(7-carboxyheptylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]octanoic acid
CID 89495837
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid (CID 81088250) is 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid is COCC(N)C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid?
The InChIKey is RJRLGAXWLNRBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-15-6-7(10)9(14)11-5-3-2-4-8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid?
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid is sourced from PubChem (CID 81088250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).