ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate

C15H23N3O5 — CID 125458773

IUPACethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-5-22-13(20)10(16)11(19)9-7-6-8-17-12(9)18-14(21)23-15(2,3)4/h6-8,10-11,19H,5,16H2,1-4H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyWTFYPPXJZLCWOC-GHMZBOCLSA-N
MW325.37 g/mol
LogP1.35
Rot. Bonds5

About ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate

ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate (PubChem CID 125458773) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
PubChem CID125458773
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nameethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
SMILESCCOC(=O)[C@H](N)[C@H](O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O5/c1-5-22-13(20)10(16)11(19)9-7-6-8-17-12(9)18-14(21)23-15(2,3)4/h6-8,10-11,19H,5,16H2,1-4H3,(H,17,18,21)/t10-,11-/m1/s1
InChIKeyWTFYPPXJZLCWOC-GHMZBOCLSA-N
XLogP1.35
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate with MolForge

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Related Compounds

ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
tert-butyl (2S,3S)-2-amino-3-(2-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456888
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237
tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
CID 165498868
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
tert-butyl (2R,3S)-2-amino-3-hydroxy-3-(3-methyl-2-pyridinyl)propanoate
CID 125456367
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
CID 129392250
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate (CID 125458773) is ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The canonical SMILES for ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate is CCOC(=O)[C@H](N)[C@H](O)c1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
The InChIKey is WTFYPPXJZLCWOC-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-5-22-13(20)10(16)11(19)9-7-6-8-17-12(9)18-14(21)23-15(2,3)4/h6-8,10-11,19H,5,16H2,1-4H3,(H,17,18,21)/t10-,11-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate?
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate has a molecular weight of 325.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate is sourced from PubChem (CID 125458773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).