(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide

C14H23N3O2S — CID 104908222

IUPAC(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C14H23N3O2S/c1-10(2)19-14-11(5-4-7-16-14)9-17-13(18)12(15)6-8-20-3/h4-5,7,10,12H,6,8-9,15H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyMDICRKIRABZVKJ-GFCCVEGCSA-N
MW297.42 g/mol
LogP1.57
Rot. Bonds8

About (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide

(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide (PubChem CID 104908222) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide
PubChem CID104908222
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide
SMILESCSCC[C@@H](N)C(=O)NCc1cccnc1OC(C)C
InChIInChI=1S/C14H23N3O2S/c1-10(2)19-14-11(5-4-7-16-14)9-17-13(18)12(15)6-8-20-3/h4-5,7,10,12H,6,8-9,15H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyMDICRKIRABZVKJ-GFCCVEGCSA-N
XLogP1.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[[2-(3-methylbutoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119309297
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
(2S)-2-amino-4-methylsulfanyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 119315071
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2-(3-aminopyrazol-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 62113226
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide (CID 104908222) is (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide is CSCC[C@@H](N)C(=O)NCc1cccnc1OC(C)C.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide?
The InChIKey is MDICRKIRABZVKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(2)19-14-11(5-4-7-16-14)9-17-13(18)12(15)6-8-20-3/h4-5,7,10,12H,6,8-9,15H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide?
(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide has a molecular weight of 297.42 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 104908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).