3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid

C15H18FNO2 — CID 116532317

IUPAC3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCc2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c16-11-2-5-13-10(9-11)1-6-14(13)17(12-3-4-12)8-7-15(18)19/h2,5,9,12,14H,1,3-4,6-8H2,(H,18,19)
InChIKeyXOWVKVZEZGMVHO-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.75
Rot. Bonds5

About 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid

3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid (PubChem CID 116532317) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
PubChem CID116532317
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCc2cc(F)ccc21
InChIInChI=1S/C15H18FNO2/c16-11-2-5-13-10(9-11)1-6-14(13)17(12-3-4-12)8-7-15(18)19/h2,5,9,12,14H,1,3-4,6-8H2,(H,18,19)
InChIKeyXOWVKVZEZGMVHO-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
CID 116532347
3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 83069274
N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 116531501
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
3-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 56525625
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65054445
3-[cyclopropyl(3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid
CID 65055121
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-cyclopropylamino]propanenitrile
CID 79741269
(2aR,8aR)-8-[3-carboxypropyl(cyclopropyl)amino]-5-fluoro-2,2a,8,8a-tetrahydro-1H-cyclobuta[b]quinoline-3-carboxylic acid
CID 71117480

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid (CID 116532317) is 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid is O=C(O)CCN(C1CC1)C1CCc2cc(F)ccc21.
What is the InChIKey of 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The InChIKey is XOWVKVZEZGMVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-2-5-13-10(9-11)1-6-14(13)17(12-3-4-12)8-7-15(18)19/h2,5,9,12,14H,1,3-4,6-8H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid has a molecular weight of 263.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid is sourced from PubChem (CID 116532317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).