(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid

C20H19NO5 — CID 171934882

IUPAC(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1COC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO5/c22-19(23)18(12-9-25-10-12)21-20(24)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyXEXKPZMTSXEQRH-GOSISDBHSA-N
MW353.37 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid (PubChem CID 171934882) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
PubChem CID171934882
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1COC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO5/c22-19(23)18(12-9-25-10-12)21-20(24)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyXEXKPZMTSXEQRH-GOSISDBHSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 154706549
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetic acid
CID 103739453
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 51358311
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2R)-4-methyl-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 170898583
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid (CID 171934882) is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid is O=C(N[C@@H](C(=O)O)C1COC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
The InChIKey is XEXKPZMTSXEQRH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO5/c22-19(23)18(12-9-25-10-12)21-20(24)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid?
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid has a molecular weight of 353.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid is sourced from PubChem (CID 171934882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).