(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C15H28N4O4 — CID 5278245

IUPAC(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)N1C[C@H](C(=O)O)[C@H](NC(=O)N(C)C)C1)C(C)C
InChIInChI=1S/C15H28N4O4/c1-9(2)19(10(3)4)15(23)18-7-11(13(20)21)12(8-18)16-14(22)17(5)6/h9-12H,7-8H2,1-6H3,(H,16,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyJPWQDYKGJJGLIX-NWDGAFQWSA-N
MW328.41 g/mol
LogP0.88
Rot. Bonds4

About (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 5278245) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID5278245
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N(C(=O)N1C[C@H](C(=O)O)[C@H](NC(=O)N(C)C)C1)C(C)C
InChIInChI=1S/C15H28N4O4/c1-9(2)19(10(3)4)15(23)18-7-11(13(20)21)12(8-18)16-14(22)17(5)6/h9-12H,7-8H2,1-6H3,(H,16,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyJPWQDYKGJJGLIX-NWDGAFQWSA-N
XLogP0.88
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 5278245) is (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)N(C(=O)N1C[C@H](C(=O)O)[C@H](NC(=O)N(C)C)C1)C(C)C.
What is the InChIKey of (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JPWQDYKGJJGLIX-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-9(2)19(10(3)4)15(23)18-7-11(13(20)21)12(8-18)16-14(22)17(5)6/h9-12H,7-8H2,1-6H3,(H,16,22)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylcarbamoylamino)-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5278245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).