methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate

C15H20N2O3 — CID 61178603

IUPACmethyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20-3)17-13(18)12-8-10-6-4-5-7-11(10)9-16-12/h4-7,12,16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyIAVQJCMHPGJPHI-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.77
Rot. Bonds3

About methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate

methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate (PubChem CID 61178603) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
PubChem CID61178603
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20-3)17-13(18)12-8-10-6-4-5-7-11(10)9-16-12/h4-7,12,16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyIAVQJCMHPGJPHI-GFCCVEGCSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65038594
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
(3R)-N-[3-(hydroxymethyl)pentan-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62520509
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-2-methylpropanoate
CID 43726172
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate (CID 61178603) is methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate?
The InChIKey is IAVQJCMHPGJPHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,14(19)20-3)17-13(18)12-8-10-6-4-5-7-11(10)9-16-12/h4-7,12,16H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate?
methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate is sourced from PubChem (CID 61178603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).