(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

C11H23N3O — CID 118760260

IUPAC(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(C)C
InChIInChI=1S/C11H23N3O/c1-7(2)13-11(15)10-5-9(12)6-14(10)8(3)4/h7-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyHQTLGXUFBYTRGU-ZJUUUORDSA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds3

About (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 118760260) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
PubChem CID118760260
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(C)C
InChIInChI=1S/C11H23N3O/c1-7(2)13-11(15)10-5-9(12)6-14(10)8(3)4/h7-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyHQTLGXUFBYTRGU-ZJUUUORDSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide (CID 118760260) is (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(C)C.
What is the InChIKey of (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HQTLGXUFBYTRGU-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23N3O/c1-7(2)13-11(15)10-5-9(12)6-14(10)8(3)4/h7-10H,5-6,12H2,1-4H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118760260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).