(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid

C11H21N3O4 — CID 107826156

IUPAC(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c1-14-5-2-8(3-6-14)12-11(18)13-9(4-7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1
InChIKeyOYQAZJJJXARQDP-VIFPVBQESA-N
MW259.31 g/mol
LogP-0.78
Rot. Bonds5

About (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid

(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid (PubChem CID 107826156) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
PubChem CID107826156
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)N[C@@H](CCO)C(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c1-14-5-2-8(3-6-14)12-11(18)13-9(4-7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1
InChIKeyOYQAZJJJXARQDP-VIFPVBQESA-N
XLogP-0.78
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid (CID 107826156) is (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid is CN1CCC(NC(=O)N[C@@H](CCO)C(=O)O)CC1.
What is the InChIKey of (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The InChIKey is OYQAZJJJXARQDP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O4/c1-14-5-2-8(3-6-14)12-11(18)13-9(4-7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107826156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).