2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid

C17H23NO3 — CID 167842135

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid
SMILESO=C(O)C(NCc1ccc2c(c1)CCC2)C1CCOCC1
InChIInChI=1S/C17H23NO3/c19-17(20)16(14-6-8-21-9-7-14)18-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,16,18H,1-3,6-9,11H2,(H,19,20)
InChIKeyWNHPBPULLUVRSL-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.14
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid (PubChem CID 167842135) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid
PubChem CID167842135
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid
SMILESO=C(O)C(NCc1ccc2c(c1)CCC2)C1CCOCC1
InChIInChI=1S/C17H23NO3/c19-17(20)16(14-6-8-21-9-7-14)18-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,16,18H,1-3,6-9,11H2,(H,19,20)
InChIKeyWNHPBPULLUVRSL-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methylphenyl)methylamino]-2-(oxan-4-yl)acetic acid
CID 166253483
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
2-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]-2-(oxan-4-yl)acetic acid
CID 167932367
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid (CID 167842135) is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid is O=C(O)C(NCc1ccc2c(c1)CCC2)C1CCOCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid?
The InChIKey is WNHPBPULLUVRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20)16(14-6-8-21-9-7-14)18-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,16,18H,1-3,6-9,11H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid?
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid has a molecular weight of 289.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 167842135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).