(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid

C18H17NO3 — CID 172800253

IUPAC(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO3/c1-11(18(21)22)19-17(20)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,20)(H,21,22)/t11-/m0/s1
InChIKeyQTMUXAHXHDNCOI-NSHDSACASA-N
MW295.34 g/mol
LogP2.78
Rot. Bonds4

About (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid

(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid (PubChem CID 172800253) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
PubChem CID172800253
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C18H17NO3/c1-11(18(21)22)19-17(20)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,20)(H,21,22)/t11-/m0/s1
InChIKeyQTMUXAHXHDNCOI-NSHDSACASA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
(2S)-2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 178199342
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
2-[(3-oxo-3-phenylpropanoyl)amino]propanoic acid
CID 110465900
(2S)-2-[[(E)-3-(9H-fluoren-9-ylmethoxy)-3-oxo-1-phenylprop-1-en-2-yl]amino]propanoic acid
CID 71306974
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
4-(1-carboxyethylamino)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxobutanoic acid
CID 22078231
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid (CID 172800253) is (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid is C[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid?
The InChIKey is QTMUXAHXHDNCOI-NSHDSACASA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(18(21)22)19-17(20)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,20)(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 172800253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).