4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid

C10H19N3O3 — CID 83021302

IUPAC4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H19N3O3/c11-8(4-5-9(14)15)10(16)12-13-6-2-1-3-7-13/h8H,1-7,11H2,(H,12,16)(H,14,15)
InChIKeyZXXTVZZNJLAVQF-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.30
Rot. Bonds5

About 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid

4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid (PubChem CID 83021302) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
PubChem CID83021302
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H19N3O3/c11-8(4-5-9(14)15)10(16)12-13-6-2-1-3-7-13/h8H,1-7,11H2,(H,12,16)(H,14,15)
InChIKeyZXXTVZZNJLAVQF-UHFFFAOYSA-N
XLogP-0.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
CID 83016952
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
CID 64890132
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid
CID 23621315
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid (CID 83021302) is 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid is NC(CCC(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid?
The InChIKey is ZXXTVZZNJLAVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-8(4-5-9(14)15)10(16)12-13-6-2-1-3-7-13/h8H,1-7,11H2,(H,12,16)(H,14,15).
What are the key properties of 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid?
4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid is sourced from PubChem (CID 83021302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).