2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid

C14H18N2O4 — CID 81085583

IUPAC2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRNWYFKAUKABEFT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.40
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid

2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid (PubChem CID 81085583) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
PubChem CID81085583
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRNWYFKAUKABEFT-UHFFFAOYSA-N
XLogP1.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
2-[(4-iodophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085093
2-[(4-bromo-3-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084105
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
N-(cyanomethyl)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-(4-hydroxyphenyl)propanamide
CID 87926841
2-[(3-ethylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086104
3-methoxy-2-[(4-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 81085695
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
methyl 1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopropane-1-carboxylate
CID 75454858
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid (CID 81085583) is 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid is COCC(NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid?
The InChIKey is RNWYFKAUKABEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12H,2-4,8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid?
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.40, 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-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 81085583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).