(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H21N3O4 — CID 63843034

IUPAC(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)CCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O4/c1-13(2)5-3-4-12-11(18)14-7-8(15)6-9(14)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyMAPDPZKEJVQKSL-BDAKNGLRSA-N
MW259.31 g/mol
LogP-0.83
Rot. Bonds5

About (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63843034) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63843034
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)CCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O4/c1-13(2)5-3-4-12-11(18)14-7-8(15)6-9(14)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-,9+/m1/s1
InChIKeyMAPDPZKEJVQKSL-BDAKNGLRSA-N
XLogP-0.83
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63843034) is (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(C)CCCNC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MAPDPZKEJVQKSL-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-13(2)5-3-4-12-11(18)14-7-8(15)6-9(14)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).