(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid

C10H18N2O4 — CID 107836516

IUPAC(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1CCNCC1
InChIInChI=1S/C10H18N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPZDMASQJAUEOLY-QMMMGPOBSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid (PubChem CID 107836516) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid
PubChem CID107836516
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)C1CCNCC1
InChIInChI=1S/C10H18N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyPZDMASQJAUEOLY-QMMMGPOBSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid (CID 107836516) is (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)C1CCNCC1.
What is the InChIKey of (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid?
The InChIKey is PZDMASQJAUEOLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(piperidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 107836516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).