2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid

C16H22N2O3 — CID 43631877

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-4-14(16(20)21)17-10-15(19)18-13-8-7-11-5-3-6-12(11)9-13/h7-9,14,17H,2-6,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyRLBCORJPFVFFRZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds7

About 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid

2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid (PubChem CID 43631877) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
PubChem CID43631877
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-4-14(16(20)21)17-10-15(19)18-13-8-7-11-5-3-6-12(11)9-13/h7-9,14,17H,2-6,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyRLBCORJPFVFFRZ-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid with MolForge

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Related Compounds

2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631468
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631680
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
CID 43632015
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 26012367
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid (CID 43631877) is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid is CCCC(NCC(=O)Nc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid?
The InChIKey is RLBCORJPFVFFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-14(16(20)21)17-10-15(19)18-13-8-7-11-5-3-6-12(11)9-13/h7-9,14,17H,2-6,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid?
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid is sourced from PubChem (CID 43631877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).