3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid

C16H21NO3 — CID 106892446

IUPAC3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-2-11(7-15(18)19)10-17-16(20)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14H,2,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIAIZPUKLBDEMLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds6

About 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid

3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid (PubChem CID 106892446) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
PubChem CID106892446
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-2-11(7-15(18)19)10-17-16(20)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14H,2,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIAIZPUKLBDEMLH-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
3-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]pentanoic acid
CID 81072634
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894304
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
3-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]pentanoic acid
CID 81064141
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
3-[(cyclohex-3-ene-1-carbonylamino)methyl]pentanoic acid
CID 81066101
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
N-(2-ethylbutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 115648847
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid (CID 106892446) is 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O.
What is the InChIKey of 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid?
The InChIKey is IAIZPUKLBDEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11(7-15(18)19)10-17-16(20)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14H,2,7-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid?
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 106892446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).