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

C14H18N2O3 — CID 107843016

IUPAC3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O3/c1-9(6-13(17)18)15-14(19)16-12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNBMUHLLAGPGCTD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid (PubChem CID 107843016) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
PubChem CID107843016
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C14H18N2O3/c1-9(6-13(17)18)15-14(19)16-12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNBMUHLLAGPGCTD-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934
2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)pent-4-ynoic acid
CID 107843037
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107827485
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid (CID 107843016) is 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid is CC(CC(=O)O)NC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid?
The InChIKey is NBMUHLLAGPGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(6-13(17)18)15-14(19)16-12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid?
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.32, 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)butanoic acid is sourced from PubChem (CID 107843016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).