1H-inden-1-yl (2S)-2-amino-4-methylpentanoate

C15H19NO2 — CID 123870032

IUPAC1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(2)9-13(16)15(17)18-14-8-7-11-5-3-4-6-12(11)14/h3-8,10,13-14H,9,16H2,1-2H3/t13-,14?/m0/s1
InChIKeyFQAWEFSHAITRMX-LSLKUGRBSA-N
MW245.32 g/mol
LogP2.67
Rot. Bonds4

About 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate

1H-inden-1-yl (2S)-2-amino-4-methylpentanoate (PubChem CID 123870032) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
PubChem CID123870032
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(2)9-13(16)15(17)18-14-8-7-11-5-3-4-6-12(11)14/h3-8,10,13-14H,9,16H2,1-2H3/t13-,14?/m0/s1
InChIKeyFQAWEFSHAITRMX-LSLKUGRBSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-inden-1-yl 2-propan-2-yloxybenzoate
CID 175280378
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
1H-inden-1-yl formate
CID 54514146
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
CID 174707762
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248
1H-inden-1-yloxy(triphenyl)phosphanium
CID 139734736

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate?
The IUPAC name of 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate (CID 123870032) is 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate?
The InChIKey is FQAWEFSHAITRMX-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)9-13(16)15(17)18-14-8-7-11-5-3-4-6-12(11)14/h3-8,10,13-14H,9,16H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate?
1H-inden-1-yl (2S)-2-amino-4-methylpentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 123870032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).