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

C14H15NO5 — CID 106892454

IUPAC2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
SMILESO=C(O)CC(NC(=O)C1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C14H15NO5/c16-12(17)7-11(14(19)20)15-13(18)10-5-8-3-1-2-4-9(8)6-10/h1-4,10-11H,5-7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyGPWCIISBZCRTNW-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.45
Rot. Bonds5

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

2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid (PubChem CID 106892454) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
PubChem CID106892454
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
SMILESO=C(O)CC(NC(=O)C1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C14H15NO5/c16-12(17)7-11(14(19)20)15-13(18)10-5-8-3-1-2-4-9(8)6-10/h1-4,10-11H,5-7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyGPWCIISBZCRTNW-UHFFFAOYSA-N
XLogP0.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methoxy-4-oxobutanoic acid
CID 106892384
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126374
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
4-amino-4-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid
CID 53390034
(2R)-4-amino-2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-4-oxobutanoic acid
CID 107821221
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid (CID 106892454) is 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid is O=C(O)CC(NC(=O)C1Cc2ccccc2C1)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid?
The InChIKey is GPWCIISBZCRTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-12(17)7-11(14(19)20)15-13(18)10-5-8-3-1-2-4-9(8)6-10/h1-4,10-11H,5-7H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid?
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid has a molecular weight of 277.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid is sourced from PubChem (CID 106892454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).