(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid

C10H19N3O3 — CID 174962854

IUPAC(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c11-9(14)5-4-8(10(15)16)12-13-6-2-1-3-7-13/h8,12H,1-7H2,(H2,11,14)(H,15,16)/t8-/m0/s1
InChIKeyQCAIARYBUIOBMJ-QMMMGPOBSA-N
MW229.28 g/mol
LogP-0.30
Rot. Bonds6

About (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid

(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid (PubChem CID 174962854) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid
PubChem CID174962854
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C10H19N3O3/c11-9(14)5-4-8(10(15)16)12-13-6-2-1-3-7-13/h8,12H,1-7H2,(H2,11,14)(H,15,16)/t8-/m0/s1
InChIKeyQCAIARYBUIOBMJ-QMMMGPOBSA-N
XLogP-0.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid (CID 174962854) is (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid is NC(=O)CC[C@H](NN1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid?
The InChIKey is QCAIARYBUIOBMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-9(14)5-4-8(10(15)16)12-13-6-2-1-3-7-13/h8,12H,1-7H2,(H2,11,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid?
(2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-(piperidin-1-ylamino)pentanoic acid is sourced from PubChem (CID 174962854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).