trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

C19H21NO4 — CID 167774325

IUPACtrans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc2cc(C[C@@H](C)NC(=O)[C@@H]3C[C@H]3C(=O)O)ccc2c1
InChIInChI=1S/C19H21NO4/c1-11(20-18(21)16-10-17(16)19(22)23)7-12-3-4-14-9-15(24-2)6-5-13(14)8-12/h3-6,8-9,11,16-17H,7,10H2,1-2H3,(H,20,21)(H,22,23)/t11-,16-,17-/m1/s1
InChIKeyQUQBQJOYYLNUNU-SSKCKEOISA-N
MW327.38 g/mol
LogP2.62
Rot. Bonds6

About trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 167774325) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID167774325
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nametrans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc2cc(C[C@@H](C)NC(=O)[C@@H]3C[C@H]3C(=O)O)ccc2c1
InChIInChI=1S/C19H21NO4/c1-11(20-18(21)16-10-17(16)19(22)23)7-12-3-4-14-9-15(24-2)6-5-13(14)8-12/h3-6,8-9,11,16-17H,7,10H2,1-2H3,(H,20,21)(H,22,23)/t11-,16-,17-/m1/s1
InChIKeyQUQBQJOYYLNUNU-SSKCKEOISA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930
2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814
2-(3,4-difluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxamide
CID 86941664
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
trans-(1R,2R)-2-[[(3R)-3-(4-methoxyphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132736
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 167774325) is trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc2cc(C[C@@H](C)NC(=O)[C@@H]3C[C@H]3C(=O)O)ccc2c1.
What is the InChIKey of trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QUQBQJOYYLNUNU-SSKCKEOISA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(20-18(21)16-10-17(16)19(22)23)7-12-3-4-14-9-15(24-2)6-5-13(14)8-12/h3-6,8-9,11,16-17H,7,10H2,1-2H3,(H,20,21)(H,22,23)/t11-,16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).