tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate

C18H27NO3 — CID 111799360

IUPACtert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CCO)C1CCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)10-11-19(12-13-20)16-9-8-14-6-4-5-7-15(14)16/h4-7,16,20H,8-13H2,1-3H3
InChIKeyAMTOENRWWOXNDA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.70
Rot. Bonds6

About tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate

tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate (PubChem CID 111799360) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
PubChem CID111799360
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CCO)C1CCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)10-11-19(12-13-20)16-9-8-14-6-4-5-7-15(14)16/h4-7,16,20H,8-13H2,1-3H3
InChIKeyAMTOENRWWOXNDA-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
CID 111332264
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95322140
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate (CID 111799360) is tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate is CC(C)(C)OC(=O)CCN(CCO)C1CCc2ccccc21.
What is the InChIKey of tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate?
The InChIKey is AMTOENRWWOXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)10-11-19(12-13-20)16-9-8-14-6-4-5-7-15(14)16/h4-7,16,20H,8-13H2,1-3H3.
What are the key properties of tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate?
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate has a molecular weight of 305.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 111799360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).