[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid

C11H20N2O4 — CID 67529442

IUPAC[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C11H20N2O4/c1-7(2)9(12-11(16)17)10(15)13-5-3-8(14)4-6-13/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyLPDNPPVORYYJLC-VIFPVBQESA-N
MW244.29 g/mol
LogP0.26
Rot. Bonds3

About [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 67529442) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID67529442
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)N1CCC(O)CC1
InChIInChI=1S/C11H20N2O4/c1-7(2)9(12-11(16)17)10(15)13-5-3-8(14)4-6-13/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyLPDNPPVORYYJLC-VIFPVBQESA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 110880549
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67530463
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
1-[2-(carbamoylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 55151360
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895
1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 115582876
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
[(2S)-3-methyl-1-[4-(1-methylbenzimidazol-2-yl)sulfanylpiperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 67529816
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 70814798
methyl N-[(2S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 118549134

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 67529442) is [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)O)C(=O)N1CCC(O)CC1.
What is the InChIKey of [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is LPDNPPVORYYJLC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)9(12-11(16)17)10(15)13-5-3-8(14)4-6-13/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid?
[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 244.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 67529442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).