(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid

C17H15NO4 — CID 90023678

IUPAC(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid
SMILESO=C(O)C[C@H](Nc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C17H15NO4/c19-16(20)9-15(17(21)22)18-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,15,18H,8-9H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyMCFYZANHYFEAHH-HNNXBMFYSA-N
MW297.31 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid

(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid (PubChem CID 90023678) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid
PubChem CID90023678
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid
SMILESO=C(O)C[C@H](Nc1cccc2c1Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C17H15NO4/c19-16(20)9-15(17(21)22)18-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,15,18H,8-9H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyMCFYZANHYFEAHH-HNNXBMFYSA-N
XLogP2.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Nbi-59159
CID 11369932
(S)-2-Amino-4-(7-fluoro-9H-fluoren-2-ylamino)-4-oxo-butanoic acid
CID 71456249
n2-Acetyl-n-9h-fluoren-1-ylasparagine
CID 278722
Fluorenylglycine
CID 57049368
2-amino-4-[(7-fluoro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid
CID 44404598
(2S)-2-[9H-fluoren-1-yl(4,4,4-trifluorobutyl)amino]propanoic acid
CID 152368427
Biphenyl-2-ylcarbamoylmethyl-iminodiacetic acid
CID 129762818
2-[(9,9-Difluorofluoren-3-yl)amino]acetic acid
CID 169197961
(2S)-2-amino-4-(9H-fluoren-3-ylamino)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 177846877
(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
CID 18650363
(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
CID 18650367
(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid
CID 18650368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid?
The IUPAC name of (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid (CID 90023678) is (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid is O=C(O)C[C@H](Nc1cccc2c1Cc1ccccc1-2)C(=O)O.
What is the InChIKey of (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid?
The InChIKey is MCFYZANHYFEAHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16(20)9-15(17(21)22)18-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,15,18H,8-9H2,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid?
(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid has a molecular weight of 297.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-1-ylamino)butanedioic acid is sourced from PubChem (CID 90023678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).