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

C13H17FN2O3 — CID 155171157

IUPAC2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
SMILESNCC(=O)NC(CCCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c14-10-5-1-3-9(7-10)4-2-6-11(13(18)19)16-12(17)8-15/h1,3,5,7,11H,2,4,6,8,15H2,(H,16,17)(H,18,19)
InChIKeyPPPBCWOWGGMLGU-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.68
Rot. Bonds7

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

2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid (PubChem CID 155171157) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
PubChem CID155171157
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
SMILESNCC(=O)NC(CCCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c14-10-5-1-3-9(7-10)4-2-6-11(13(18)19)16-12(17)8-15/h1,3,5,7,11H,2,4,6,8,15H2,(H,16,17)(H,18,19)
InChIKeyPPPBCWOWGGMLGU-UHFFFAOYSA-N
XLogP0.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171209
6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
CID 69169193
CID 155889976
CID 155889976
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 5057429
(2S)-6-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]carbamoylamino]hexanoic acid
CID 149432585
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid (CID 155171157) is 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid is NCC(=O)NC(CCCc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid?
The InChIKey is PPPBCWOWGGMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-10-5-1-3-9(7-10)4-2-6-11(13(18)19)16-12(17)8-15/h1,3,5,7,11H,2,4,6,8,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid?
2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid has a molecular weight of 268.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid is sourced from PubChem (CID 155171157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).