2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid

C23H25NO4 — CID 168751618

IUPAC2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
SMILESCC1(C(NC(=O)OC2c3ccccc3-c3ccccc32)C(=O)O)CCCCC1
InChIInChI=1S/C23H25NO4/c1-23(13-7-2-8-14-23)20(21(25)26)24-22(27)28-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,19-20H,2,7-8,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQUMRUNQFJGJBLH-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.91
Rot. Bonds4

About 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid

2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid (PubChem CID 168751618) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
PubChem CID168751618
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
SMILESCC1(C(NC(=O)OC2c3ccccc3-c3ccccc32)C(=O)O)CCCCC1
InChIInChI=1S/C23H25NO4/c1-23(13-7-2-8-14-23)20(21(25)26)24-22(27)28-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,19-20H,2,7-8,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQUMRUNQFJGJBLH-UHFFFAOYSA-N
XLogP4.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
CID 175278848
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylcyclohexyl)propanoic acid
CID 165485041
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
CID 135151747
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid
CID 168783013
ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
CID 159037890
9H-fluoren-9-yl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7864040
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
(2R)-2-[(3R)-3-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 168783067
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
(2S)-2-[(3R)-3-ethynyl-1,1-dimethylpyrrolidin-1-ium-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 168783129
(2S)-2-[(3S)-3-ethynyl-1,1-dimethylpyrrolidin-1-ium-3-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 168783024

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid?
The IUPAC name of 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid (CID 168751618) is 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid is CC1(C(NC(=O)OC2c3ccccc3-c3ccccc32)C(=O)O)CCCCC1.
What is the InChIKey of 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid?
The InChIKey is QUMRUNQFJGJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-23(13-7-2-8-14-23)20(21(25)26)24-22(27)28-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,19-20H,2,7-8,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid?
2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid has a molecular weight of 379.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid is sourced from PubChem (CID 168751618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).