cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate

C19H17NO4 — CID 86307383

IUPACcis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate
SMILES[NH3+][C@]1(C(=O)[O-])C[C@@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c20-19(18(22)23)9-16(19)17(21)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,20H2,(H,22,23)/t16-,19-/m1/s1
InChIKeyUOOVYTTYBFNPLU-VQIMIIECSA-N
MW323.35 g/mol
LogP0.09
Rot. Bonds4

About cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate

cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate (PubChem CID 86307383) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate
PubChem CID86307383
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namecis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate
SMILES[NH3+][C@]1(C(=O)[O-])C[C@@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c20-19(18(22)23)9-16(19)17(21)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,20H2,(H,22,23)/t16-,19-/m1/s1
InChIKeyUOOVYTTYBFNPLU-VQIMIIECSA-N
XLogP0.09
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
(2S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-dimethylpyrrolidine-2-carbothioic S-acid
CID 87531875
(2S,4R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)thiane-4-carboxylic acid
CID 95567242
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 6921835
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 7157187
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate (CID 86307383) is cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate is [NH3+][C@]1(C(=O)[O-])C[C@@H]1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate?
The InChIKey is UOOVYTTYBFNPLU-VQIMIIECSA-N. The full InChI is InChI=1S/C19H17NO4/c20-19(18(22)23)9-16(19)17(21)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10,20H2,(H,22,23)/t16-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate?
cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86307383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).