(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide

C15H23N3O — CID 167820235

IUPAC(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)CCNC2
InChIInChI=1S/C15H23N3O/c1-10(2)14(16)15(19)18-8-11-3-4-13-9-17-6-5-12(13)7-11/h3-4,7,10,14,17H,5-6,8-9,16H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyCPTYJTXSXCCMJK-CQSZACIVSA-N
MW261.37 g/mol
LogP0.93
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide

(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide (PubChem CID 167820235) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
PubChem CID167820235
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)CCNC2
InChIInChI=1S/C15H23N3O/c1-10(2)14(16)15(19)18-8-11-3-4-13-9-17-6-5-12(13)7-11/h3-4,7,10,14,17H,5-6,8-9,16H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyCPTYJTXSXCCMJK-CQSZACIVSA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 164904797
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
CID 79012217
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
(2S)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide (CID 167820235) is (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide is CC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)CCNC2.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide?
The InChIKey is CPTYJTXSXCCMJK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)14(16)15(19)18-8-11-3-4-13-9-17-6-5-12(13)7-11/h3-4,7,10,14,17H,5-6,8-9,16H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide?
(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide is sourced from PubChem (CID 167820235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).