(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid

C10H19N3O3 — CID 5278229

IUPAC(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCN(CC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-3-12(4-2)10(16)13-5-7(9(14)15)8(11)6-13/h7-8H,3-6,11H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyOFFZJNNHEYMLGF-JGVFFNPUSA-N
MW229.28 g/mol
LogP-0.21
Rot. Bonds3

About (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid

(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 5278229) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID5278229
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCN(CC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-3-12(4-2)10(16)13-5-7(9(14)15)8(11)6-13/h7-8H,3-6,11H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyOFFZJNNHEYMLGF-JGVFFNPUSA-N
XLogP-0.21
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 5278229) is (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid is CCN(CC)C(=O)N1C[C@@H](N)[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OFFZJNNHEYMLGF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-12(4-2)10(16)13-5-7(9(14)15)8(11)6-13/h7-8H,3-6,11H2,1-2H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5278229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).