(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C13H23N3O3 — CID 101087338

IUPAC(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-8(2)7-10(12(14)18)15-13(19)11-5-4-6-16(11)9(3)17/h8,10-11H,4-7H2,1-3H3,(H2,14,18)(H,15,19)/t10-,11-/m0/s1
InChIKeyNKBRJXMWGOEZBU-QWRGUYRKSA-N
MW269.34 g/mol
LogP0.01
Rot. Bonds5

About (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 101087338) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID101087338
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-8(2)7-10(12(14)18)15-13(19)11-5-4-6-16(11)9(3)17/h8,10-11H,4-7H2,1-3H3,(H2,14,18)(H,15,19)/t10-,11-/m0/s1
InChIKeyNKBRJXMWGOEZBU-QWRGUYRKSA-N
XLogP0.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 101087338) is (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is NKBRJXMWGOEZBU-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)7-10(12(14)18)15-13(19)11-5-4-6-16(11)9(3)17/h8,10-11H,4-7H2,1-3H3,(H2,14,18)(H,15,19)/t10-,11-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 101087338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).