(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid

C20H21NO3 — CID 119370153

IUPAC(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C20H21NO3/c1-13(20(23)24)21-19(22)8-4-5-14-9-10-16-12-15-6-2-3-7-17(15)18(16)11-14/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKeyDTXFRZKCWKANPD-CYBMUJFWSA-N
MW323.39 g/mol
LogP3.17
Rot. Bonds6

About (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid

(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid (PubChem CID 119370153) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
PubChem CID119370153
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)O
InChIInChI=1S/C20H21NO3/c1-13(20(23)24)21-19(22)8-4-5-14-9-10-16-12-15-6-2-3-7-17(15)18(16)11-14/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKeyDTXFRZKCWKANPD-CYBMUJFWSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
4-(9H-fluoren-3-yl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453666
4-(9H-fluoren-3-yl)-N-(1-methylpiperidin-3-yl)butanamide
CID 56800513
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-pent-4-ynyl-9H-fluorene
CID 18927532
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
4-(6H-benzo[c]chromen-9-yl)butanoic acid
CID 139771669
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid (CID 119370153) is (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid is C[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)O.
What is the InChIKey of (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid?
The InChIKey is DTXFRZKCWKANPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(20(23)24)21-19(22)8-4-5-14-9-10-16-12-15-6-2-3-7-17(15)18(16)11-14/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid?
(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 119370153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).