methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate

C18H27NO2 — CID 82351461

IUPACmethyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCCC(C)NC(CC(=O)OC)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO2/c1-4-13(2)19-17(12-18(20)21-3)11-14-8-9-15-6-5-7-16(15)10-14/h8-10,13,17,19H,4-7,11-12H2,1-3H3
InChIKeyJHWHEVHFGCFMNO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds7

About methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate

methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate (PubChem CID 82351461) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
PubChem CID82351461
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namemethyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCCC(C)NC(CC(=O)OC)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H27NO2/c1-4-13(2)19-17(12-18(20)21-3)11-14-8-9-15-6-5-7-16(15)10-14/h8-10,13,17,19H,4-7,11-12H2,1-3H3
InChIKeyJHWHEVHFGCFMNO-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate with MolForge

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Related Compounds

methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
methyl 3-(butan-2-ylamino)-4-(4-chlorophenyl)butanoate
CID 82351285
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
CID 112533171
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
methyl 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoate
CID 82351403
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82351123
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646
3-(butan-2-ylamino)-4-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 82351137
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855
4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
CID 82350813

Frequently Asked Questions

What is the IUPAC name of methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The IUPAC name of methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate (CID 82351461) is methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate.
What is the SMILES notation for methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The canonical SMILES for methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate is CCC(C)NC(CC(=O)OC)Cc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The InChIKey is JHWHEVHFGCFMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-13(2)19-17(12-18(20)21-3)11-14-8-9-15-6-5-7-16(15)10-14/h8-10,13,17,19H,4-7,11-12H2,1-3H3.
What are the key properties of methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate has a molecular weight of 289.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate is sourced from PubChem (CID 82351461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).