2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid

C16H22N2O3 — CID 107843074

IUPAC2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NC1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)14(15(19)20)9-17-16(21)18-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyLZUVZNNERRLKMV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.81
Rot. Bonds5

About 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid

2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid (PubChem CID 107843074) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
PubChem CID107843074
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NC1Cc2ccccc2C1)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)14(15(19)20)9-17-16(21)18-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyLZUVZNNERRLKMV-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]butanoic acid
CID 65224076
(2S)-2-(2,6-dichloroanilino)-3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 139490884
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016
(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
2-[[(4-ethylcyclohexyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65223787
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 104694747

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid (CID 107843074) is 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)NC1Cc2ccccc2C1)C(=O)O.
What is the InChIKey of 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is LZUVZNNERRLKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)14(15(19)20)9-17-16(21)18-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid?
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 107843074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).