3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid

C13H17NO2 — CID 43087276

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c15-13(16)8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12,14H,3,5,7-9H2,(H,15,16)
InChIKeyASICTWNTGRGQNL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.13
Rot. Bonds4

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid

3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid (PubChem CID 43087276) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
PubChem CID43087276
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCCc2ccccc21
InChIInChI=1S/C13H17NO2/c15-13(16)8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12,14H,3,5,7-9H2,(H,15,16)
InChIKeyASICTWNTGRGQNL-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid (CID 43087276) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid is O=C(O)CCNC1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
The InChIKey is ASICTWNTGRGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12,14H,3,5,7-9H2,(H,15,16).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid?
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 43087276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).