(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid

C20H30N2O4 — CID 118549478

IUPAC(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid
SMILESN[C@@H](CCC1CCC1)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O
InChIInChI=1S/C20H30N2O4/c21-18(7-6-14-2-1-3-14)20(25,19(23)24)13-16-12-17(8-10-22-16)26-11-9-15-4-5-15/h8,10,12,14-15,18,25H,1-7,9,11,13,21H2,(H,23,24)/t18-,20+/m0/s1
InChIKeyUAKRQQPFTAGJAK-AZUAARDMSA-N
MW362.47 g/mol
LogP2.53
Rot. Bonds11

About (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid

(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid (PubChem CID 118549478) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid
PubChem CID118549478
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid
SMILESN[C@@H](CCC1CCC1)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O
InChIInChI=1S/C20H30N2O4/c21-18(7-6-14-2-1-3-14)20(25,19(23)24)13-16-12-17(8-10-22-16)26-11-9-15-4-5-15/h8,10,12,14-15,18,25H,1-7,9,11,13,21H2,(H,23,24)/t18-,20+/m0/s1
InChIKeyUAKRQQPFTAGJAK-AZUAARDMSA-N
XLogP2.53
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid?
The IUPAC name of (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid (CID 118549478) is (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid?
The canonical SMILES for (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid is N[C@@H](CCC1CCC1)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid?
The InChIKey is UAKRQQPFTAGJAK-AZUAARDMSA-N. The full InChI is InChI=1S/C20H30N2O4/c21-18(7-6-14-2-1-3-14)20(25,19(23)24)13-16-12-17(8-10-22-16)26-11-9-15-4-5-15/h8,10,12,14-15,18,25H,1-7,9,11,13,21H2,(H,23,24)/t18-,20+/m0/s1.
What are the key properties of (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid?
(2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid has a molecular weight of 362.47 g/mol, XLogP of 2.53, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-5-cyclobutyl-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 118549478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).