methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate

C16H21NO3 — CID 112533171

IUPACmethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
SMILESCCC(CC(=O)OC)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-3-14(10-15(18)20-2)17-16(19)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyCYOVRJDPFLRSNE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds5

About methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate

methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate (PubChem CID 112533171) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
PubChem CID112533171
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
SMILESCCC(CC(=O)OC)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-3-14(10-15(18)20-2)17-16(19)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyCYOVRJDPFLRSNE-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855
methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351461
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxyethylamino)-4-oxobutanoate
CID 82348858
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate (CID 112533171) is methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate is CCC(CC(=O)OC)NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate?
The InChIKey is CYOVRJDPFLRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-14(10-15(18)20-2)17-16(19)13-8-7-11-5-4-6-12(11)9-13/h7-9,14H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate?
methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate has a molecular weight of 275.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate is sourced from PubChem (CID 112533171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).