5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid

C13H25N3O3 — CID 104685674

IUPAC5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10(13(18)19)3-2-6-15-12(17)9-16-7-4-11(14)5-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyXYXZAFRXYBFWAR-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.03
Rot. Bonds7

About 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid

5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid (PubChem CID 104685674) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
PubChem CID104685674
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)CN1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10(13(18)19)3-2-6-15-12(17)9-16-7-4-11(14)5-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyXYXZAFRXYBFWAR-UHFFFAOYSA-N
XLogP0.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740859
(2S)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 107146814
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 171640050

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid (CID 104685674) is 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)CN1CCC(N)CC1)C(=O)O.
What is the InChIKey of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid?
The InChIKey is XYXZAFRXYBFWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(13(18)19)3-2-6-15-12(17)9-16-7-4-11(14)5-8-16/h10-11H,2-9,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid?
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104685674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).