trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide

C16H22N2O — CID 177310658

IUPACtrans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c17-14-9-4-8-13(14)16(19)18-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,5,7,13-15H,3-4,6,8-10,17H2,(H,18,19)/t13-,14-,15-/m1/s1
InChIKeyXQKQNSRGDJUXMY-RBSFLKMASA-N
MW258.36 g/mol
LogP2.31
Rot. Bonds2

About trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide (PubChem CID 177310658) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
PubChem CID177310658
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Nametrans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c17-14-9-4-8-13(14)16(19)18-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,5,7,13-15H,3-4,6,8-10,17H2,(H,18,19)/t13-,14-,15-/m1/s1
InChIKeyXQKQNSRGDJUXMY-RBSFLKMASA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107221860
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222294
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119688069

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide (CID 177310658) is trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide is N[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide?
The InChIKey is XQKQNSRGDJUXMY-RBSFLKMASA-N. The full InChI is InChI=1S/C16H22N2O/c17-14-9-4-8-13(14)16(19)18-15-10-3-6-11-5-1-2-7-12(11)15/h1-2,5,7,13-15H,3-4,6,8-10,17H2,(H,18,19)/t13-,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 177310658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).