2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid

C15H18N2O3 — CID 104558521

IUPAC2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc2c1CCNC2
InChIInChI=1S/C15H18N2O3/c18-14(17-13(15(19)20)9-4-5-9)12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,13,16H,4-8H2,(H,17,18)(H,19,20)
InChIKeyKXUMHQLJKYUNRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds4

About 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid

2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid (PubChem CID 104558521) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
PubChem CID104558521
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc2c1CCNC2
InChIInChI=1S/C15H18N2O3/c18-14(17-13(15(19)20)9-4-5-9)12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,13,16H,4-8H2,(H,17,18)(H,19,20)
InChIKeyKXUMHQLJKYUNRI-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(2-methylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558421
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
N-pent-4-yn-2-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113477489
N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558050
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558682
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid (CID 104558521) is 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid?
The InChIKey is KXUMHQLJKYUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(17-13(15(19)20)9-4-5-9)12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,13,16H,4-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid?
2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid has a molecular weight of 274.32 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 2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid is sourced from PubChem (CID 104558521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).