trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide

C17H25N3O — CID 124688900

IUPACtrans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C17H25N3O/c1-12-10-13-4-2-3-5-16(13)20(12)9-8-19-17(21)14-6-7-15(18)11-14/h2-5,12,14-15H,6-11,18H2,1H3,(H,19,21)/t12-,14-,15-/m1/s1
InChIKeyLPYHWIFDPIVHDG-BPLDGKMQSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds4

About trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 124688900) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID124688900
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Nametrans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC[C@@H](N)C1
InChIInChI=1S/C17H25N3O/c1-12-10-13-4-2-3-5-16(13)20(12)9-8-19-17(21)14-6-7-15(18)11-14/h2-5,12,14-15H,6-11,18H2,1H3,(H,19,21)/t12-,14-,15-/m1/s1
InChIKeyLPYHWIFDPIVHDG-BPLDGKMQSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
CID 119868371
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119868403
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60599643
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide (CID 124688900) is trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide is C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is LPYHWIFDPIVHDG-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-13-4-2-3-5-16(13)20(12)9-8-19-17(21)14-6-7-15(18)11-14/h2-5,12,14-15H,6-11,18H2,1H3,(H,19,21)/t12-,14-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).