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

C14H26N4O3 — CID 90675104

IUPAC(2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(19)15-3)18-14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyRTXHWFWNZBTMLG-QWRGUYRKSA-N
MW298.39 g/mol
LogP-0.87
Rot. Bonds7

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

(2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90675104) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID90675104
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(19)15-3)18-14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyRTXHWFWNZBTMLG-QWRGUYRKSA-N
XLogP-0.87
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 90675104) is (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is RTXHWFWNZBTMLG-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(19)15-3)18-14(21)10-5-4-6-16-10/h9-11,16H,4-8H2,1-3H3,(H,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-methyl-1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90675104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).