3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid

C13H16N2O3 — CID 114007977

IUPAC3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c16-12(17)5-6-14-13(18)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,16,17)(H2,14,15,18)
InChIKeyWDQISRPCXLIETR-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.93
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid

3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid (PubChem CID 114007977) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
PubChem CID114007977
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2O3/c16-12(17)5-6-14-13(18)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,16,17)(H2,14,15,18)
InChIKeyWDQISRPCXLIETR-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 75522874
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid (CID 114007977) is 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid?
The InChIKey is WDQISRPCXLIETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)5-6-14-13(18)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid?
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114007977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).