2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid

C16H23NO2 — CID 65056941

IUPAC2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-12(2)17(11-16(18)19)15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyPYUWYRIWVBNWJK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds4

About 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid

2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid (PubChem CID 65056941) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
PubChem CID65056941
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1CCCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-12(2)17(11-16(18)19)15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyPYUWYRIWVBNWJK-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106603050
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 61455331
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
N-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 915645
N-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3756805

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid (CID 65056941) is 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid is CC(C)N(CC(=O)O)C1CCCCc2ccccc21.
What is the InChIKey of 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid?
The InChIKey is PYUWYRIWVBNWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)17(11-16(18)19)15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid?
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid is sourced from PubChem (CID 65056941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).