5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid

C10H18N4O4 — CID 503257

IUPAC5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCNC(=O)N1CC(C(=O)O)C(N)C1CNC(C)=O
InChIInChI=1S/C10H18N4O4/c1-5(15)13-3-7-8(11)6(9(16)17)4-14(7)10(18)12-2/h6-8H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyKPGIWVHIPLSKAU-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.83
Rot. Bonds3

About 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid

5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 503257) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID503257
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCNC(=O)N1CC(C(=O)O)C(N)C1CNC(C)=O
InChIInChI=1S/C10H18N4O4/c1-5(15)13-3-7-8(11)6(9(16)17)4-14(7)10(18)12-2/h6-8H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyKPGIWVHIPLSKAU-UHFFFAOYSA-N
XLogP-1.83
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 503257) is 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid is CNC(=O)N1CC(C(=O)O)C(N)C1CNC(C)=O.
What is the InChIKey of 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KPGIWVHIPLSKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-5(15)13-3-7-8(11)6(9(16)17)4-14(7)10(18)12-2/h6-8H,3-4,11H2,1-2H3,(H,12,18)(H,13,15)(H,16,17).
What are the key properties of 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid?
5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 503257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).