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

C14H26N4O3 — CID 14877502

IUPAC(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)NCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18-14(21)10-5-3-4-6-16-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyDLASRJQUZVWYAL-QWRGUYRKSA-N
MW298.39 g/mol
LogP-0.74
Rot. Bonds7

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

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide (PubChem CID 14877502) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
PubChem CID14877502
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)NCC(N)=O
InChIInChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18-14(21)10-5-3-4-6-16-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyDLASRJQUZVWYAL-QWRGUYRKSA-N
XLogP-0.74
TPSA113.32 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 ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide (CID 14877502) is (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
The InChIKey is DLASRJQUZVWYAL-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-11(13(20)17-8-12(15)19)18-14(21)10-5-3-4-6-16-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 14877502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).