(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid

C22H23NO4 — CID 96567444

IUPAC(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)20-12-2-1-7-13-23(20)22(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,1-2,7,12-14H2,(H,24,25)/t20-/m1/s1
InChIKeyWVJOHQNQAXAVJQ-HXUWFJFHSA-N
MW365.43 g/mol
LogP4.26
Rot. Bonds3

About (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid

(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid (PubChem CID 96567444) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
PubChem CID96567444
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)20-12-2-1-7-13-23(20)22(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,1-2,7,12-14H2,(H,24,25)/t20-/m1/s1
InChIKeyWVJOHQNQAXAVJQ-HXUWFJFHSA-N
XLogP4.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 19767634
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 45073932
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 178196433

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid?
The IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid (CID 96567444) is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid?
The canonical SMILES for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid is O=C(O)[C@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid?
The InChIKey is WVJOHQNQAXAVJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23NO4/c24-21(25)20-12-2-1-7-13-23(20)22(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,1-2,7,12-14H2,(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid?
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 96567444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).