2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide

C14H20N2O2S — CID 110480743

IUPAC2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide
SMILESCSc1ccccc1C1(CNC(=O)C(N)CO)CC1
InChIInChI=1S/C14H20N2O2S/c1-19-12-5-3-2-4-10(12)14(6-7-14)9-16-13(18)11(15)8-17/h2-5,11,17H,6-9,15H2,1H3,(H,16,18)
InChIKeyAFERNHMBYXSBBP-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide

2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide (PubChem CID 110480743) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide
PubChem CID110480743
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide
SMILESCSc1ccccc1C1(CNC(=O)C(N)CO)CC1
InChIInChI=1S/C14H20N2O2S/c1-19-12-5-3-2-4-10(12)14(6-7-14)9-16-13(18)11(15)8-17/h2-5,11,17H,6-9,15H2,1H3,(H,16,18)
InChIKeyAFERNHMBYXSBBP-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]carbamate
CID 110477808
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylsulfanylbutanamide
CID 119293591
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide (CID 110480743) is 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide is CSc1ccccc1C1(CNC(=O)C(N)CO)CC1.
What is the InChIKey of 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide?
The InChIKey is AFERNHMBYXSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-12-5-3-2-4-10(12)14(6-7-14)9-16-13(18)11(15)8-17/h2-5,11,17H,6-9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide?
2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide has a molecular weight of 280.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 110480743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).