3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid

C18H25NO3 — CID 119190719

IUPAC3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H25NO3/c1-13(2)12-19(9-8-18(21)22)17(20)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,21,22)
InChIKeyPTNUVVAYSDNXRB-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.68
Rot. Bonds7

About 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid

3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190719) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190719
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H25NO3/c1-13(2)12-19(9-8-18(21)22)17(20)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,21,22)
InChIKeyPTNUVVAYSDNXRB-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
CID 120685931
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190719) is 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is PTNUVVAYSDNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)12-19(9-8-18(21)22)17(20)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).