(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid

C14H18FNO2 — CID 69323534

IUPAC(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1Cc2ccc(F)cc2C1)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-3-13(14(17)18)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12-13,16H,2-3,7-8H2,1H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyMKWIPBWEZHKBNN-ABLWVSNPSA-N
MW251.30 g/mol
LogP2.14
Rot. Bonds5

About (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid

(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid (PubChem CID 69323534) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
PubChem CID69323534
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
SMILESCCC[C@H](NC1Cc2ccc(F)cc2C1)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-3-13(14(17)18)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12-13,16H,2-3,7-8H2,1H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyMKWIPBWEZHKBNN-ABLWVSNPSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid (CID 69323534) is (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid is CCC[C@H](NC1Cc2ccc(F)cc2C1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid?
The InChIKey is MKWIPBWEZHKBNN-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-3-13(14(17)18)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12-13,16H,2-3,7-8H2,1H3,(H,17,18)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid?
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid is sourced from PubChem (CID 69323534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).