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

C17H23NO3 — CID 65219085

IUPAC2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-2-4-15(17(20)21)11-18-16(19)10-12-7-8-13-5-3-6-14(13)9-12/h7-9,15H,2-6,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyITCZAEWNXIEORO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds7

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

2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 65219085) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID65219085
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-2-4-15(17(20)21)11-18-16(19)10-12-7-8-13-5-3-6-14(13)9-12/h7-9,15H,2-6,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyITCZAEWNXIEORO-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650056
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
CID 65217775
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-[[3-(4-ethylphenyl)propanoylamino]methyl]pentanoic acid
CID 65219639
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid (CID 65219085) is 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)Cc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is ITCZAEWNXIEORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-4-15(17(20)21)11-18-16(19)10-12-7-8-13-5-3-6-14(13)9-12/h7-9,15H,2-6,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65219085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).