(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide

C13H18N2O2 — CID 61155702

IUPAC(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-15(10-4-5-10)13(17)12(14)8-9-2-6-11(16)7-3-9/h2-3,6-7,10,12,16H,4-5,8,14H2,1H3/t12-/m0/s1
InChIKeyFUVOCWNGLOTMNF-LBPRGKRZSA-N
MW234.30 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide

(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 61155702) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID61155702
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-15(10-4-5-10)13(17)12(14)8-9-2-6-11(16)7-3-9/h2-3,6-7,10,12,16H,4-5,8,14H2,1H3/t12-/m0/s1
InChIKeyFUVOCWNGLOTMNF-LBPRGKRZSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 76895085
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
CID 76893763
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-cyclopentyl-3-(4-hydroxyphenyl)-N-prop-2-enylpropanamide
CID 104904891
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 61155702) is (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(C(=O)[C@@H](N)Cc1ccc(O)cc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is FUVOCWNGLOTMNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-4-5-10)13(17)12(14)8-9-2-6-11(16)7-3-9/h2-3,6-7,10,12,16H,4-5,8,14H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 61155702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).