2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid

C9H17N3O3 — CID 62637046

IUPAC2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(N)C1
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)11(2)9(15)12-4-3-7(10)5-12/h6-7H,3-5,10H2,1-2H3,(H,13,14)
InChIKeyMWNKYONOYGNKQY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.46
Rot. Bonds2

About 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid

2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid (PubChem CID 62637046) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
PubChem CID62637046
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCC(N)C1
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)11(2)9(15)12-4-3-7(10)5-12/h6-7H,3-5,10H2,1-2H3,(H,13,14)
InChIKeyMWNKYONOYGNKQY-UHFFFAOYSA-N
XLogP-0.46
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
2-[1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl(methyl)amino]propanoic acid
CID 79934908
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
2-[(4-ethyl-3-methylpiperazine-1-carbonyl)-methylamino]propanoic acid
CID 63614715
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
N-methyl-3-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 158561695
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid (CID 62637046) is 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCC(N)C1.
What is the InChIKey of 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid?
The InChIKey is MWNKYONOYGNKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(8(13)14)11(2)9(15)12-4-3-7(10)5-12/h6-7H,3-5,10H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid?
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62637046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).