(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C16H31N3O3 — CID 75529665

IUPAC(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)9-12(10-20)18-14(21)13-7-6-8-19(13)16(3,4)15(22)17-5/h11-13,20H,6-10H2,1-5H3,(H,17,22)(H,18,21)/t12-,13+/m1/s1
InChIKeyNPVGMDCPQCCWTJ-OLZOCXBDSA-N
MW313.44 g/mol
LogP0.50
Rot. Bonds7

About (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 75529665) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID75529665
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)9-12(10-20)18-14(21)13-7-6-8-19(13)16(3,4)15(22)17-5/h11-13,20H,6-10H2,1-5H3,(H,17,22)(H,18,21)/t12-,13+/m1/s1
InChIKeyNPVGMDCPQCCWTJ-OLZOCXBDSA-N
XLogP0.50
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 75529665) is (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C.
What is the InChIKey of (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is NPVGMDCPQCCWTJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-11(2)9-12(10-20)18-14(21)13-7-6-8-19(13)16(3,4)15(22)17-5/h11-13,20H,6-10H2,1-5H3,(H,17,22)(H,18,21)/t12-,13+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75529665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).