3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid

C15H23N3O6 — CID 171885219

IUPAC3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1cnc(C(=O)O)c(N)c1
InChIInChI=1S/C15H23N3O6/c1-15(2,3)24-14(23)17-5-4-10(19)12(20)8-6-9(16)11(13(21)22)18-7-8/h6-7,10,12,19-20H,4-5,16H2,1-3H3,(H,17,23)(H,21,22)
InChIKeyUWLCJQUIOKOVOH-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.67
Rot. Bonds6

About 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid

3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid (PubChem CID 171885219) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid
PubChem CID171885219
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCC(O)C(O)c1cnc(C(=O)O)c(N)c1
InChIInChI=1S/C15H23N3O6/c1-15(2,3)24-14(23)17-5-4-10(19)12(20)8-6-9(16)11(13(21)22)18-7-8/h6-7,10,12,19-20H,4-5,16H2,1-3H3,(H,17,23)(H,21,22)
InChIKeyUWLCJQUIOKOVOH-UHFFFAOYSA-N
XLogP0.67
TPSA155.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methylpyridine-2-carboxylic acid
CID 171885297
methyl 5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methylpyridine-2-carboxylate
CID 171885516
3-chloro-5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyridine-2-carboxylic acid
CID 170832541
tert-butyl N-[4-(2-amino-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884300
tert-butyl N-[4-(6-cyano-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884814
tert-butyl N-[4-(6-bromo-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171885899
tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171884997
tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
2-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-fluorobenzoic acid
CID 171885506

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid (CID 171885219) is 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)NCCC(O)C(O)c1cnc(C(=O)O)c(N)c1.
What is the InChIKey of 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid?
The InChIKey is UWLCJQUIOKOVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-15(2,3)24-14(23)17-5-4-10(19)12(20)8-6-9(16)11(13(21)22)18-7-8/h6-7,10,12,19-20H,4-5,16H2,1-3H3,(H,17,23)(H,21,22).
What are the key properties of 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid?
3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 171885219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).