methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate

C17H23NO3 — CID 63039299

IUPACmethyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
SMILESCOC(=O)C(CCOc1ccc2c(c1)CCC2)NC1CC1
InChIInChI=1S/C17H23NO3/c1-20-17(19)16(18-14-6-7-14)9-10-21-15-8-5-12-3-2-4-13(12)11-15/h5,8,11,14,16,18H,2-4,6-7,9-10H2,1H3
InChIKeyWDYJNSVRKDKDAQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate

methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate (PubChem CID 63039299) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
PubChem CID63039299
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
SMILESCOC(=O)C(CCOc1ccc2c(c1)CCC2)NC1CC1
InChIInChI=1S/C17H23NO3/c1-20-17(19)16(18-14-6-7-14)9-10-21-15-8-5-12-3-2-4-13(12)11-15/h5,8,11,14,16,18H,2-4,6-7,9-10H2,1H3
InChIKeyWDYJNSVRKDKDAQ-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
CID 64803434
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate (CID 63039299) is methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate is COC(=O)C(CCOc1ccc2c(c1)CCC2)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate?
The InChIKey is WDYJNSVRKDKDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-17(19)16(18-14-6-7-14)9-10-21-15-8-5-12-3-2-4-13(12)11-15/h5,8,11,14,16,18H,2-4,6-7,9-10H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate?
methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate has a molecular weight of 289.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate is sourced from PubChem (CID 63039299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).