2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid

C17H15NO7S — CID 138633783

IUPAC2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid
SMILESO=C(O)CNC(=O)OCC1(S(=O)(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO7S/c19-15(20)9-18-16(21)25-10-17(26(22,23)24)13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23,24)
InChIKeyHKZKIHPKAUJPRD-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.61
Rot. Bonds5

About 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid

2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid (PubChem CID 138633783) has the molecular formula C17H15NO7S and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid
PubChem CID138633783
Molecular FormulaC17H15NO7S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid
SMILESO=C(O)CNC(=O)OCC1(S(=O)(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO7S/c19-15(20)9-18-16(21)25-10-17(26(22,23)24)13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23,24)
InChIKeyHKZKIHPKAUJPRD-UHFFFAOYSA-N
XLogP1.61
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
2-[(2-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 95454152
2-[[(2S)-3-phenyl-2-[[2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 171843596
[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate
CID 19902692
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]ethoxy]ethoxycarbonylamino]acetic acid
CID 58108393
2-(benzenesulfonylcarbonylamino)acetic acid
CID 89198477
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
2-[[(R)-fluoro(phenyl)methoxy]carbonylamino]acetic acid
CID 66789213
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896

Frequently Asked Questions

What is the IUPAC name of 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid?
The IUPAC name of 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid (CID 138633783) is 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid is O=C(O)CNC(=O)OCC1(S(=O)(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid?
The InChIKey is HKZKIHPKAUJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7S/c19-15(20)9-18-16(21)25-10-17(26(22,23)24)13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23,24).
What are the key properties of 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid?
2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid has a molecular weight of 377.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-sulfofluoren-9-yl)methoxycarbonylamino]acetic acid is sourced from PubChem (CID 138633783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).