(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate

C12H17N3O5 — CID 67689351

IUPAC(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate
SMILESCC(C)Oc1ccnc(OC(=O)NC(=O)[C@@H](C)N)c1O
InChIInChI=1S/C12H17N3O5/c1-6(2)19-8-4-5-14-11(9(8)16)20-12(18)15-10(17)7(3)13/h4-7,16H,13H2,1-3H3,(H,15,17,18)/t7-/m1/s1
InChIKeyLMTDVDBIQMLKSZ-SSDOTTSWSA-N
MW283.28 g/mol
LogP0.54
Rot. Bonds4

About (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate

(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate (PubChem CID 67689351) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate.

Molecular Properties

Compound Name(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate
PubChem CID67689351
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate
SMILESCC(C)Oc1ccnc(OC(=O)NC(=O)[C@@H](C)N)c1O
InChIInChI=1S/C12H17N3O5/c1-6(2)19-8-4-5-14-11(9(8)16)20-12(18)15-10(17)7(3)13/h4-7,16H,13H2,1-3H3,(H,15,17,18)/t7-/m1/s1
InChIKeyLMTDVDBIQMLKSZ-SSDOTTSWSA-N
XLogP0.54
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate?
The IUPAC name of (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate (CID 67689351) is (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate.
What is the SMILES notation for (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate?
The canonical SMILES for (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate is CC(C)Oc1ccnc(OC(=O)NC(=O)[C@@H](C)N)c1O.
What is the InChIKey of (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate?
The InChIKey is LMTDVDBIQMLKSZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-6(2)19-8-4-5-14-11(9(8)16)20-12(18)15-10(17)7(3)13/h4-7,16H,13H2,1-3H3,(H,15,17,18)/t7-/m1/s1.
What are the key properties of (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate?
(3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate has a molecular weight of 283.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-propan-2-yloxy-2-pyridinyl) N-[(2R)-2-aminopropanoyl]carbamate is sourced from PubChem (CID 67689351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).