1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide

C9H17N3O3 — CID 81081543

IUPAC1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
SMILESCOCC(N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-15-5-6(10)9(14)12-4-2-3-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)
InChIKeyYAFKKCWFEPFDCG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.56
Rot. Bonds4

About 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide

1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide (PubChem CID 81081543) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
PubChem CID81081543
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
SMILESCOCC(N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C9H17N3O3/c1-15-5-6(10)9(14)12-4-2-3-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)
InChIKeyYAFKKCWFEPFDCG-UHFFFAOYSA-N
XLogP-1.56
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
CID 70564093
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 81088765
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
1-(3-amino-2-methoxypropanoyl)piperidine-2-carboxamide
CID 106111923
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
CID 84951908

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide (CID 81081543) is 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide is COCC(N)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is YAFKKCWFEPFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-5-6(10)9(14)12-4-2-3-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13).
What are the key properties of 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide?
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 81081543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).