(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

C24H26N2O5 — CID 154706549

IUPAC(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESCC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1
InChIInChI=1S/C24H26N2O5/c1-15(27)26-12-10-16(11-13-26)22(23(28)29)25-24(30)31-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-14H2,1H3,(H,25,30)(H,28,29)/t22-/m0/s1
InChIKeyOBZUOIHNWCBWBE-QFIPXVFZSA-N
MW422.48 g/mol
LogP3.24
Rot. Bonds5

About (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (PubChem CID 154706549) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
PubChem CID154706549
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESCC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1
InChIInChI=1S/C24H26N2O5/c1-15(27)26-12-10-16(11-13-26)22(23(28)29)25-24(30)31-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-14H2,1H3,(H,25,30)(H,28,29)/t22-/m0/s1
InChIKeyOBZUOIHNWCBWBE-QFIPXVFZSA-N
XLogP3.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.24
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
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
CID 165443784
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 51358311
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2R)-4-methyl-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 170898583
4-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylic acid
CID 170161592
(2S)-3-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451437
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The IUPAC name of (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (CID 154706549) is (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The canonical SMILES for (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is CC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1.
What is the InChIKey of (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The InChIKey is OBZUOIHNWCBWBE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15(27)26-12-10-16(11-13-26)22(23(28)29)25-24(30)31-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21-22H,10-14H2,1H3,(H,25,30)(H,28,29)/t22-/m0/s1.
What are the key properties of (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid has a molecular weight of 422.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 154706549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).