[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate

C14H21N3O5 — CID 67689343

IUPAC[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate
SMILESCC(C)CCOc1ccnc(OC(=O)NC(=O)[C@H](C)N)c1O
InChIInChI=1S/C14H21N3O5/c1-8(2)5-7-21-10-4-6-16-13(11(10)18)22-14(20)17-12(19)9(3)15/h4,6,8-9,18H,5,7,15H2,1-3H3,(H,17,19,20)/t9-/m0/s1
InChIKeyPENXWOPTWWVPTC-VIFPVBQESA-N
MW311.34 g/mol
LogP1.17
Rot. Bonds6

About [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate

[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate (PubChem CID 67689343) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate.

Molecular Properties

Compound Name[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate
PubChem CID67689343
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate
SMILESCC(C)CCOc1ccnc(OC(=O)NC(=O)[C@H](C)N)c1O
InChIInChI=1S/C14H21N3O5/c1-8(2)5-7-21-10-4-6-16-13(11(10)18)22-14(20)17-12(19)9(3)15/h4,6,8-9,18H,5,7,15H2,1-3H3,(H,17,19,20)/t9-/m0/s1
InChIKeyPENXWOPTWWVPTC-VIFPVBQESA-N
XLogP1.17
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate?
The IUPAC name of [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate (CID 67689343) is [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate.
What is the SMILES notation for [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate?
The canonical SMILES for [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate is CC(C)CCOc1ccnc(OC(=O)NC(=O)[C@H](C)N)c1O.
What is the InChIKey of [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate?
The InChIKey is PENXWOPTWWVPTC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O5/c1-8(2)5-7-21-10-4-6-16-13(11(10)18)22-14(20)17-12(19)9(3)15/h4,6,8-9,18H,5,7,15H2,1-3H3,(H,17,19,20)/t9-/m0/s1.
What are the key properties of [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate?
[3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate has a molecular weight of 311.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(3-methylbutoxy)-2-pyridinyl] N-[(2S)-2-aminopropanoyl]carbamate is sourced from PubChem (CID 67689343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).