3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid

C14H25N3O6 — CID 174532909

IUPAC3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C14H25N3O6/c1-14(2,3)23-13(22)17-6-4-9(5-7-17)15-12(21)16-10(8-18)11(19)20/h9-10,18H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyLFEWOYCSRYXZGO-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.13
Rot. Bonds4

About 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid

3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (PubChem CID 174532909) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
PubChem CID174532909
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Name3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C14H25N3O6/c1-14(2,3)23-13(22)17-6-4-9(5-7-17)15-12(21)16-10(8-18)11(19)20/h9-10,18H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyLFEWOYCSRYXZGO-UHFFFAOYSA-N
XLogP0.13
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
CID 108909382
(2R)-2-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CID 73424753
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
CID 125180523
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-[(2-nitroacetyl)amino]piperidine-1-carboxylate
CID 108814591
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid (CID 174532909) is 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid is CC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)C(=O)O)CC1.
What is the InChIKey of 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
The InChIKey is LFEWOYCSRYXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6/c1-14(2,3)23-13(22)17-6-4-9(5-7-17)15-12(21)16-10(8-18)11(19)20/h9-10,18H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21).
What are the key properties of 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid?
3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid has a molecular weight of 331.37 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 174532909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).