cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid

C15H17NO3 — CID 124670671

IUPACcis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11-13H,3,5,7-8H2,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyFQKNKQGXZZVXGO-YNEHKIRRSA-N
MW259.30 g/mol
LogP1.90
Rot. Bonds3

About cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124670671) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124670671
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Namecis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11-13H,3,5,7-8H2,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKeyFQKNKQGXZZVXGO-YNEHKIRRSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4104044
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
(1S,2R,3R,4S)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98123572
(1S,2R,3S,4S)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98297059
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 43652030

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 124670671) is cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FQKNKQGXZZVXGO-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11-13H,3,5,7-8H2,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124670671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).