(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C12H15N3O3 — CID 103955970

IUPAC(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)CONC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C12H15N3O3/c13-11(16)7-18-15-12(17)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10,14H,5-7H2,(H2,13,16)(H,15,17)/t10-/m1/s1
InChIKeyGJKLVUNTQKNUOI-SNVBAGLBSA-N
MW249.27 g/mol
LogP-0.77
Rot. Bonds4

About (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103955970) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103955970
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESNC(=O)CONC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C12H15N3O3/c13-11(16)7-18-15-12(17)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10,14H,5-7H2,(H2,13,16)(H,15,17)/t10-/m1/s1
InChIKeyGJKLVUNTQKNUOI-SNVBAGLBSA-N
XLogP-0.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3R)-N-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11044233
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
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
4-amino-4-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid
CID 53390034
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103795639
5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 53390036
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103955970) is (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is NC(=O)CONC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is GJKLVUNTQKNUOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(16)7-18-15-12(17)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10,14H,5-7H2,(H2,13,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103955970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).