2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid

C17H22N2O4 — CID 120974149

IUPAC2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(=O)c1cccc2c1CCC2)C(C)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-11(17(22)23)19(10-9-18-12(2)20)16(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyQNVNZAZXEPPALV-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid

2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid (PubChem CID 120974149) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid
PubChem CID120974149
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(C(=O)c1cccc2c1CCC2)C(C)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-11(17(22)23)19(10-9-18-12(2)20)16(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyQNVNZAZXEPPALV-UHFFFAOYSA-N
XLogP1.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
CID 120685931
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244
2-[2-acetamidoethyl-(4-benzylpiperidine-1-carbonyl)amino]propanoic acid
CID 120602765
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2,2-dibromo-1-(2,3-dihydro-1H-inden-4-yl)ethanone
CID 87520921
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 126778215
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
2-[2-acetamidoethyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]propanoic acid
CID 122065155

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid (CID 120974149) is 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid is CC(=O)NCCN(C(=O)c1cccc2c1CCC2)C(C)C(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid?
The InChIKey is QNVNZAZXEPPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(17(22)23)19(10-9-18-12(2)20)16(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid?
2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid has a molecular weight of 318.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120974149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).