methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate

C14H19NO3 — CID 113436484

IUPACmethyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC1CCc2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(17,13(16)18-2)9-15-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,15,17H,7-9H2,1-2H3
InChIKeyUARILTAJDSUHJY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds4

About methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate

methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate (PubChem CID 113436484) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
PubChem CID113436484
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC1CCc2ccccc21
InChIInChI=1S/C14H19NO3/c1-14(17,13(16)18-2)9-15-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,15,17H,7-9H2,1-2H3
InChIKeyUARILTAJDSUHJY-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanoate
CID 104644358
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
methyl 2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoate
CID 43726017
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
tert-butyl-[(2S,3R)-4-(2,3-dihydro-1H-inden-1-ylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 91340107

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate (CID 113436484) is methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CNC1CCc2ccccc21.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate?
The InChIKey is UARILTAJDSUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(17,13(16)18-2)9-15-12-8-7-10-5-3-4-6-11(10)12/h3-6,12,15,17H,7-9H2,1-2H3.
What are the key properties of methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate?
methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 113436484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).