1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide

C10H19N3O3 — CID 62473351

IUPAC1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
SMILESCOCCC(N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H19N3O3/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)
InChIKeyAGGDYFHCJSRMON-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.17
Rot. Bonds5

About 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide

1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide (PubChem CID 62473351) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
PubChem CID62473351
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
SMILESCOCCC(N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H19N3O3/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14)
InChIKeyAGGDYFHCJSRMON-UHFFFAOYSA-N
XLogP-1.17
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 62474297
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
CID 70564093
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
CID 84951908
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide (CID 62473351) is 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide is COCCC(N)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is AGGDYFHCJSRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-16-6-4-7(11)10(15)13-5-2-3-8(13)9(12)14/h7-8H,2-6,11H2,1H3,(H2,12,14).
What are the key properties of 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide?
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62473351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).