(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid

C19H30N2O5 — CID 130184994

IUPAC(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COC[C@H](N)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O
InChIInChI=1S/C19H30N2O5/c1-13(2)11-25-12-17(20)19(24,18(22)23)10-15-9-16(5-7-21-15)26-8-6-14-3-4-14/h5,7,9,13-14,17,24H,3-4,6,8,10-12,20H2,1-2H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyWRDWDNUVCUSIAF-PKOBYXMFSA-N
MW366.46 g/mol
LogP1.62
Rot. Bonds12

About (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid

(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid (PubChem CID 130184994) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid
PubChem CID130184994
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid
SMILESCC(C)COC[C@H](N)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O
InChIInChI=1S/C19H30N2O5/c1-13(2)11-25-12-17(20)19(24,18(22)23)10-15-9-16(5-7-21-15)26-8-6-14-3-4-14/h5,7,9,13-14,17,24H,3-4,6,8,10-12,20H2,1-2H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyWRDWDNUVCUSIAF-PKOBYXMFSA-N
XLogP1.62
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid with MolForge

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Related Compounds

US10059720, Example 84
CID 118549470
US10059720, Example 125
CID 130185009
US10059720, Example 82
CID 118549467
US10059720, Example 80
CID 118549471
US10059720, Example 78
CID 118549472
US10059720, Example 42
CID 118549489
US10059720, Example 54
CID 118549637
US10059720, Example 93
CID 118549676
US10059720, Example 102
CID 129313992
US10059720, Example 130
CID 130192751
US10059720, Example 31
CID 136213916
US10059720, Example 74
CID 136213928

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid?
The IUPAC name of (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid (CID 130184994) is (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid?
The canonical SMILES for (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid is CC(C)COC[C@H](N)[C@](O)(Cc1cc(OCCC2CC2)ccn1)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid?
The InChIKey is WRDWDNUVCUSIAF-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-13(2)11-25-12-17(20)19(24,18(22)23)10-15-9-16(5-7-21-15)26-8-6-14-3-4-14/h5,7,9,13-14,17,24H,3-4,6,8,10-12,20H2,1-2H3,(H,22,23)/t17-,19+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid?
(2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid has a molecular weight of 366.46 g/mol, XLogP of 1.62, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]-2-hydroxy-4-(2-methylpropoxy)butanoic acid is sourced from PubChem (CID 130184994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).