1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C13H24N4O3 — CID 156662818

IUPAC1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILES[2H]C([2H])(C(C)C)[C@H](C(=O)NCC(N)=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H24N4O3/c1-8(2)6-10(13(20)16-7-11(14)18)17-5-3-4-9(17)12(15)19/h8-10H,3-7H2,1-2H3,(H2,14,18)(H2,15,19)(H,16,20)/t9?,10-/m1/s1/i6D2
InChIKeyFSRFNMMALKKZPI-COOZEPJMSA-N
MW286.37 g/mol
LogP-1.05
Rot. Bonds7

About 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 156662818) has the molecular formula C13H24N4O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID156662818
Molecular FormulaC13H24N4O3
Molecular Weight286.37 g/mol
Exact Mass286.20
IUPAC Name1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILES[2H]C([2H])(C(C)C)[C@H](C(=O)NCC(N)=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H24N4O3/c1-8(2)6-10(13(20)16-7-11(14)18)17-5-3-4-9(17)12(15)19/h8-10H,3-7H2,1-2H3,(H2,14,18)(H2,15,19)(H,16,20)/t9?,10-/m1/s1/i6D2
InChIKeyFSRFNMMALKKZPI-COOZEPJMSA-N
XLogP-1.05
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 156662818) is 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is [2H]C([2H])(C(C)C)[C@H](C(=O)NCC(N)=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FSRFNMMALKKZPI-COOZEPJMSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-8(2)6-10(13(20)16-7-11(14)18)17-5-3-4-9(17)12(15)19/h8-10H,3-7H2,1-2H3,(H2,14,18)(H2,15,19)(H,16,20)/t9?,10-/m1/s1/i6D2.
What are the key properties of 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 286.37 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3,3-dideuterio-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156662818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).