(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid

C17H16N2O3 — CID 11369932

IUPAC(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyQDIIRLCSVINDSC-HNNXBMFYSA-N
MW296.33 g/mol
LogP2.00
Rot. Bonds4

About (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid

(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid (PubChem CID 11369932) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
PubChem CID11369932
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)O
InChIInChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyQDIIRLCSVINDSC-HNNXBMFYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
N-(9H-fluoren-2-yl)-2-(phenylcarbamoylamino)acetamide
CID 24583638
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
1-(9H-fluoren-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75418599
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
1-(aminomethyl)-N-(9H-fluoren-2-yl)cyclopropane-1-carboxamide
CID 80588288
2-[benzenesulfonyl(methyl)amino]-N-(9H-fluoren-2-yl)acetamide
CID 46408845
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497
N-(9H-fluoren-2-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119680260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid?
The IUPAC name of (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid (CID 11369932) is (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid is N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid?
The InChIKey is QDIIRLCSVINDSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid?
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 11369932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).