2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid

C15H20N2O3 — CID 61160671

IUPAC2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c1-10(2)17(9-14(18)19)15(20)13-7-11-5-3-4-6-12(11)8-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUCSMZTYPMSAHOH-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds4

About 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid

2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 61160671) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
PubChem CID61160671
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c1-10(2)17(9-14(18)19)15(20)13-7-11-5-3-4-6-12(11)8-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUCSMZTYPMSAHOH-CYBMUJFWSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
(3S)-N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896257
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid (CID 61160671) is 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is UCSMZTYPMSAHOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)17(9-14(18)19)15(20)13-7-11-5-3-4-6-12(11)8-16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid?
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 61160671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).