2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide

C13H26N4O2 — CID 57343683

IUPAC2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
SMILESCC(C)C[C@H](N)C(=O)N1CCC[C@@H](NCC(N)=O)C1
InChIInChI=1S/C13H26N4O2/c1-9(2)6-11(14)13(19)17-5-3-4-10(8-17)16-7-12(15)18/h9-11,16H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11+/m1/s1
InChIKeyJURWMUVZIKQYNE-MNOVXSKESA-N
MW270.38 g/mol
LogP-0.57
Rot. Bonds6

About 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide

2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide (PubChem CID 57343683) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
PubChem CID57343683
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
SMILESCC(C)C[C@H](N)C(=O)N1CCC[C@@H](NCC(N)=O)C1
InChIInChI=1S/C13H26N4O2/c1-9(2)6-11(14)13(19)17-5-3-4-10(8-17)16-7-12(15)18/h9-11,16H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11+/m1/s1
InChIKeyJURWMUVZIKQYNE-MNOVXSKESA-N
XLogP-0.57
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide?
The IUPAC name of 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide (CID 57343683) is 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide.
What is the SMILES notation for 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide?
The canonical SMILES for 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide is CC(C)C[C@H](N)C(=O)N1CCC[C@@H](NCC(N)=O)C1.
What is the InChIKey of 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide?
The InChIKey is JURWMUVZIKQYNE-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N4O2/c1-9(2)6-11(14)13(19)17-5-3-4-10(8-17)16-7-12(15)18/h9-11,16H,3-8,14H2,1-2H3,(H2,15,18)/t10-,11+/m1/s1.
What are the key properties of 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide?
2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide has a molecular weight of 270.38 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide is sourced from PubChem (CID 57343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).