(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide

C17H28N4O4 — CID 13312531

IUPAC(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C17H28N4O4/c1-10(2)9-12(20-16(24)11-6-7-14(22)19-11)17(25)21-8-4-3-5-13(21)15(18)23/h10-13H,3-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,24)/t11-,12-,13-/m0/s1
InChIKeySLTIZYQUOUXSKI-AVGNSLFASA-N
MW352.44 g/mol
LogP-0.34
Rot. Bonds6

About (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide

(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide (PubChem CID 13312531) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide
PubChem CID13312531
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCC[C@H]1C(N)=O
InChIInChI=1S/C17H28N4O4/c1-10(2)9-12(20-16(24)11-6-7-14(22)19-11)17(25)21-8-4-3-5-13(21)15(18)23/h10-13H,3-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,24)/t11-,12-,13-/m0/s1
InChIKeySLTIZYQUOUXSKI-AVGNSLFASA-N
XLogP-0.34
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide (CID 13312531) is (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide?
The InChIKey is SLTIZYQUOUXSKI-AVGNSLFASA-N. The full InChI is InChI=1S/C17H28N4O4/c1-10(2)9-12(20-16(24)11-6-7-14(22)19-11)17(25)21-8-4-3-5-13(21)15(18)23/h10-13H,3-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,24)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide?
(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 13312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).