3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid

C14H17NO3 — CID 119221067

IUPAC3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCc2ccccc21
InChIInChI=1S/C14H17NO3/c1-9(8-13(16)17)15-14(18)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKFLIOMCAKUSFGZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds4

About 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid

3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid (PubChem CID 119221067) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
PubChem CID119221067
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCc2ccccc21
InChIInChI=1S/C14H17NO3/c1-9(8-13(16)17)15-14(18)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKFLIOMCAKUSFGZ-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
CID 119364620
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)pentanoic acid
CID 66394930
(E)-2-(2,3-dihydro-1H-indene-1-carbonylamino)hex-4-enoic acid
CID 120692514
(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 97225481
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-(4-hydroxypentan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113376584

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid (CID 119221067) is 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid?
The InChIKey is KFLIOMCAKUSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(8-13(16)17)15-14(18)12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12H,6-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid?
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid is sourced from PubChem (CID 119221067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).