tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate

C16H23NO2 — CID 113262066

IUPACtert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)10-11-17-14-9-8-12-6-4-5-7-13(12)14/h4-7,14,17H,8-11H2,1-3H3
InChIKeyZWPCNFCPGLJKCA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate

tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate (PubChem CID 113262066) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
PubChem CID113262066
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNC1CCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)10-11-17-14-9-8-12-6-4-5-7-13(12)14/h4-7,14,17H,8-11H2,1-3H3
InChIKeyZWPCNFCPGLJKCA-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914
methyl 3-(2,3-dihydro-1H-inden-1-ylamino)-2-hydroxy-2-methylpropanoate
CID 113436484
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
tert-butyl 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538154
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The IUPAC name of tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate (CID 113262066) is tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The canonical SMILES for tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate is CC(C)(C)OC(=O)CCNC1CCc2ccccc21.
What is the InChIKey of tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The InChIKey is ZWPCNFCPGLJKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)10-11-17-14-9-8-12-6-4-5-7-13(12)14/h4-7,14,17H,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate has a molecular weight of 261.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate is sourced from PubChem (CID 113262066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).