2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid

C15H21FN2O3 — CID 155171209

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
SMILESCC(C)(N)C(=O)NC(CCCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-15(2,17)14(21)18-12(13(19)20)8-4-6-10-5-3-7-11(16)9-10/h3,5,7,9,12H,4,6,8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYNRXLKPFKXMPKK-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.46
Rot. Bonds7

About 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid

2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid (PubChem CID 155171209) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
PubChem CID155171209
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
SMILESCC(C)(N)C(=O)NC(CCCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-15(2,17)14(21)18-12(13(19)20)8-4-6-10-5-3-7-11(16)9-10/h3,5,7,9,12H,4,6,8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYNRXLKPFKXMPKK-UHFFFAOYSA-N
XLogP1.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171157
CID 155889976
CID 155889976
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
(2R)-5-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 69270454
6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
CID 69169193
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
4-[2-(3-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220897
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid (CID 155171209) is 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid is CC(C)(N)C(=O)NC(CCCc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The InChIKey is YNRXLKPFKXMPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,17)14(21)18-12(13(19)20)8-4-6-10-5-3-7-11(16)9-10/h3,5,7,9,12H,4,6,8,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid?
2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid has a molecular weight of 296.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid is sourced from PubChem (CID 155171209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).