4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid

C13H17NO3 — CID 166125977

IUPAC4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
SMILESNC1Cc2c(O)cccc2C1CCCC(=O)O
InChIInChI=1S/C13H17NO3/c14-11-7-10-8(3-1-5-12(10)15)9(11)4-2-6-13(16)17/h1,3,5,9,11,15H,2,4,6-7,14H2,(H,16,17)
InChIKeyPDOAHMCRTNMIIR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.61
Rot. Bonds4

About 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid

4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid (PubChem CID 166125977) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
PubChem CID166125977
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
SMILESNC1Cc2c(O)cccc2C1CCCC(=O)O
InChIInChI=1S/C13H17NO3/c14-11-7-10-8(3-1-5-12(10)15)9(11)4-2-6-13(16)17/h1,3,5,9,11,15H,2,4,6-7,14H2,(H,16,17)
InChIKeyPDOAHMCRTNMIIR-UHFFFAOYSA-N
XLogP1.61
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 166125970
4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
(1S,2R)-2-amino-2,3-dihydro-1H-indene-1,4-diol
CID 95241574
ethyl 2-amino-4-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 166125578
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
3-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125462
3-(4-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117199028
4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
CID 67744441
(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57031457
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
4-[2-[6-(2-amino-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexylamino]ethyl]benzoic acid
CID 67716507

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The IUPAC name of 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid (CID 166125977) is 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The canonical SMILES for 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid is NC1Cc2c(O)cccc2C1CCCC(=O)O.
What is the InChIKey of 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The InChIKey is PDOAHMCRTNMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-11-7-10-8(3-1-5-12(10)15)9(11)4-2-6-13(16)17/h1,3,5,9,11,15H,2,4,6-7,14H2,(H,16,17).
What are the key properties of 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid is sourced from PubChem (CID 166125977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).