4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid

C18H27NO2 — CID 82350813

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
SMILESCCCCCNC(CC(=O)O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO2/c1-2-3-4-10-19-17(13-18(20)21)12-14-8-9-15-6-5-7-16(15)11-14/h8-9,11,17,19H,2-7,10,12-13H2,1H3,(H,20,21)
InChIKeyBFJGKEPYSWIIPA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.34
Rot. Bonds9

About 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid

4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid (PubChem CID 82350813) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
PubChem CID82350813
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
SMILESCCCCCNC(CC(=O)O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO2/c1-2-3-4-10-19-17(13-18(20)21)12-14-8-9-15-6-5-7-16(15)11-14/h8-9,11,17,19H,2-7,10,12-13H2,1H3,(H,20,21)
InChIKeyBFJGKEPYSWIIPA-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
4-(1-methyl-2-oxo-3H-indol-5-yl)-3-(propylamino)butanoic acid
CID 82351116
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
methyl 4-(4-fluoro-3-methylphenyl)-3-(pentylamino)butanoate
CID 82351496
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
methyl 4-(4-chlorophenyl)-3-(pentylamino)butanoate
CID 82351293
methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351461
N-(1-aminohexan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119667900
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid (CID 82350813) is 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid is CCCCCNC(CC(=O)O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid?
The InChIKey is BFJGKEPYSWIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-4-10-19-17(13-18(20)21)12-14-8-9-15-6-5-7-16(15)11-14/h8-9,11,17,19H,2-7,10,12-13H2,1H3,(H,20,21).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid?
4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid is sourced from PubChem (CID 82350813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).