1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid

C19H26N2O3 — CID 122012405

IUPAC1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-12(2)16-11-17(15-6-4-3-5-14(15)16)20-19(24)21-9-7-13(8-10-21)18(22)23/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,20,24)(H,22,23)/t16-,17-/m1/s1
InChIKeyUIBWTANZAJGWQP-IAGOWNOFSA-N
MW330.43 g/mol
LogP3.38
Rot. Bonds3

About 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122012405) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122012405
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-12(2)16-11-17(15-6-4-3-5-14(15)16)20-19(24)21-9-7-13(8-10-21)18(22)23/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,20,24)(H,22,23)/t16-,17-/m1/s1
InChIKeyUIBWTANZAJGWQP-IAGOWNOFSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012411
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
4-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methylamino]cyclohexane-1-carboxylic acid
CID 122033674
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122017364
1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004000
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122012405) is 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid is CC(C)[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is UIBWTANZAJGWQP-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)16-11-17(15-6-4-3-5-14(15)16)20-19(24)21-9-7-13(8-10-21)18(22)23/h3-6,12-13,16-17H,7-11H2,1-2H3,(H,20,24)(H,22,23)/t16-,17-/m1/s1.
What are the key properties of 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122012405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).