(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

C26H23NO4 — CID 51358311

IUPAC(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)[C@H]1CCc2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-25(29)24(22-14-13-16-7-1-2-8-17(16)22)27-26(30)31-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)/t22-,24-/m0/s1
InChIKeyGNHFMXJATLYMHI-UPVQGACJSA-N
MW413.47 g/mol
LogP4.71
Rot. Bonds5

About (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (PubChem CID 51358311) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
PubChem CID51358311
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)[C@H]1CCc2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO4/c28-25(29)24(22-14-13-16-7-1-2-8-17(16)22)27-26(30)31-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)/t22-,24-/m0/s1
InChIKeyGNHFMXJATLYMHI-UPVQGACJSA-N
XLogP4.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 154706549
3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 154577623
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2R)-4-methyl-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 170898583
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
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 (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The IUPAC name of (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (CID 51358311) is (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The canonical SMILES for (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is O=C(N[C@H](C(=O)O)[C@H]1CCc2ccccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The InChIKey is GNHFMXJATLYMHI-UPVQGACJSA-N. The full InChI is InChI=1S/C26H23NO4/c28-25(29)24(22-14-13-16-7-1-2-8-17(16)22)27-26(30)31-15-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)/t22-,24-/m0/s1.
What are the key properties of (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid has a molecular weight of 413.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 51358311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).