4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid

C8H14N2O4 — CID 143148082

IUPAC4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESCOCC(=O)N1CC(N)CC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-14-4-7(11)10-3-5(9)2-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
InChIKeyNEKQEUVYPRZHEE-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.35
Rot. Bonds3

About 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid

4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 143148082) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID143148082
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESCOCC(=O)N1CC(N)CC1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-14-4-7(11)10-3-5(9)2-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
InChIKeyNEKQEUVYPRZHEE-UHFFFAOYSA-N
XLogP-1.35
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
CID 170157861
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390
(2S,4S)-4-amino-1-[2-(3-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 70754592
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S,4S)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79478912
1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79473431
(2R,4R)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79479127
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
(2S,4S)-4-amino-1-[2-(1H-benzimidazol-2-ylmethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 70743530
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 23102672

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid (CID 143148082) is 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid is COCC(=O)N1CC(N)CC1C(=O)O.
What is the InChIKey of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NEKQEUVYPRZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-14-4-7(11)10-3-5(9)2-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143148082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).