(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid

C10H19N3O4 — CID 107828713

IUPAC(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)NN1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-7-4-8(9(15)16)11-10(17)12-13-5-2-1-3-6-13/h8,14H,1-7H2,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeyMCYKIECXIPNJRL-MRVPVSSYSA-N
MW245.28 g/mol
LogP-0.48
Rot. Bonds5

About (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid

(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid (PubChem CID 107828713) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid
PubChem CID107828713
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)NN1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-7-4-8(9(15)16)11-10(17)12-13-5-2-1-3-6-13/h8,14H,1-7H2,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeyMCYKIECXIPNJRL-MRVPVSSYSA-N
XLogP-0.48
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
CID 107828714
(2S)-4-methoxy-4-oxo-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83020386
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 107567456
(2R)-4-hydroxy-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)butanoic acid
CID 114005613
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826947
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 107828725
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid (CID 107828713) is (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)NN1CCCCC1.
What is the InChIKey of (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
The InChIKey is MCYKIECXIPNJRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-7-4-8(9(15)16)11-10(17)12-13-5-2-1-3-6-13/h8,14H,1-7H2,(H,15,16)(H2,11,12,17)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107828713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).