trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid

C24H20N2O4 — CID 167729661

IUPACtrans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O4/c27-23(28)20-11-19(20)14-9-10-22(25-12-14)26-24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,12,19-21H,11,13H2,(H,27,28)(H,25,26,29)/t19-,20+/m0/s1
InChIKeyQVRFTOIPKFRZJW-VQTJNVASSA-N
MW400.43 g/mol
LogP4.63
Rot. Bonds5

About trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 167729661) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID167729661
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Nametrans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20N2O4/c27-23(28)20-11-19(20)14-9-10-22(25-12-14)26-24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,12,19-21H,11,13H2,(H,27,28)(H,25,26,29)/t19-,20+/m0/s1
InChIKeyQVRFTOIPKFRZJW-VQTJNVASSA-N
XLogP4.63
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(1S,2R,4R,5S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4,5-dihydroxycyclohexane-1-carboxylic acid
CID 155821553
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 10498932
cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192441
trans-(1R,2S)-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 146081972
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 165498955
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198233
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid (CID 167729661) is trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is QVRFTOIPKFRZJW-VQTJNVASSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23(28)20-11-19(20)14-9-10-22(25-12-14)26-24(29)30-13-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-10,12,19-21H,11,13H2,(H,27,28)(H,25,26,29)/t19-,20+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 400.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167729661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).