(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid

C10H19N3O4 — CID 107838707

IUPAC(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)NC1CCNCC1
InChIInChI=1S/C10H19N3O4/c14-8(9(15)16)3-6-12-10(17)13-7-1-4-11-5-2-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyOZYRMKAIWBBWQY-QMMMGPOBSA-N
MW245.28 g/mol
LogP-1.13
Rot. Bonds5

About (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid

(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid (PubChem CID 107838707) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
PubChem CID107838707
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)NC1CCNCC1
InChIInChI=1S/C10H19N3O4/c14-8(9(15)16)3-6-12-10(17)13-7-1-4-11-5-2-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyOZYRMKAIWBBWQY-QMMMGPOBSA-N
XLogP-1.13
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
(2S)-4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107838516
4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840239
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007130
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid (CID 107838707) is (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)NC1CCNCC1.
What is the InChIKey of (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
The InChIKey is OZYRMKAIWBBWQY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-8(9(15)16)3-6-12-10(17)13-7-1-4-11-5-2-7/h7-8,11,14H,1-6H2,(H,15,16)(H2,12,13,17)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid?
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.13, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107838707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).