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

C23H25NO5 — CID 90273881

IUPAC2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid
SMILESCO[C@H]1CC[C@@H](CC(=O)O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO5/c1-28-20-11-10-14(12-21(25)26)22(20)24-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20,22H,10-13H2,1H3,(H,24,27)(H,25,26)/t14-,20-,22-/m0/s1
InChIKeyDCQHKXXODSGDRE-FSJXIACGSA-N
MW395.46 g/mol
LogP3.79
Rot. Bonds6

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

2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid (PubChem CID 90273881) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid
PubChem CID90273881
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid
SMILESCO[C@H]1CC[C@@H](CC(=O)O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO5/c1-28-20-11-10-14(12-21(25)26)22(20)24-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20,22H,10-13H2,1H3,(H,24,27)(H,25,26)/t14-,20-,22-/m0/s1
InChIKeyDCQHKXXODSGDRE-FSJXIACGSA-N
XLogP3.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetic acid
CID 170899998
2-[(3S,4S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178196156
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(1R,2R,3S,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124935093
(1S,2S,3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;(1R,2R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 127239798
2-[(1R,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclohexyl]acetic acid
CID 178198413
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
2-[(3S,4S)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178198303
(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
CID 11624815
2-[(3S,4S)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178196197
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid (CID 90273881) is 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid is CO[C@H]1CC[C@@H](CC(=O)O)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid?
The InChIKey is DCQHKXXODSGDRE-FSJXIACGSA-N. The full InChI is InChI=1S/C23H25NO5/c1-28-20-11-10-14(12-21(25)26)22(20)24-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20,22H,10-13H2,1H3,(H,24,27)(H,25,26)/t14-,20-,22-/m0/s1.
What are the key properties of 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid?
2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid has a molecular weight of 395.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxycyclopentyl]acetic acid is sourced from PubChem (CID 90273881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).