2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide

C11H25Br2FN4O2 — CID 88794604

IUPAC2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide
SMILESBr.Br.CC(N)C(=O)NCCCC(CF)NC(=O)C(C)N
InChIInChI=1S/C11H23FN4O2.2BrH/c1-7(13)10(17)15-5-3-4-9(6-12)16-11(18)8(2)14;;/h7-9H,3-6,13-14H2,1-2H3,(H,15,17)(H,16,18);2*1H
InChIKeyQKGWLMXIYZAYJL-UHFFFAOYSA-N
MW424.15 g/mol
LogP0.19
Rot. Bonds8

About 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide

2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide (PubChem CID 88794604) has the molecular formula C11H25Br2FN4O2 and a molecular weight of 424.15 g/mol. Its IUPAC name is 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide.

Molecular Properties

Compound Name2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide
PubChem CID88794604
Molecular FormulaC11H25Br2FN4O2
Molecular Weight424.15 g/mol
Exact Mass422.03
IUPAC Name2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide
SMILESBr.Br.CC(N)C(=O)NCCCC(CF)NC(=O)C(C)N
InChIInChI=1S/C11H23FN4O2.2BrH/c1-7(13)10(17)15-5-3-4-9(6-12)16-11(18)8(2)14;;/h7-9H,3-6,13-14H2,1-2H3,(H,15,17)(H,16,18);2*1H
InChIKeyQKGWLMXIYZAYJL-UHFFFAOYSA-N
XLogP0.19
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.15
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-5-(carbamoylamino)pentanoic acid
CID 87281357
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide?
The IUPAC name of 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide (CID 88794604) is 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide.
What is the SMILES notation for 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide?
The canonical SMILES for 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide is Br.Br.CC(N)C(=O)NCCCC(CF)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide?
The InChIKey is QKGWLMXIYZAYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN4O2.2BrH/c1-7(13)10(17)15-5-3-4-9(6-12)16-11(18)8(2)14;;/h7-9H,3-6,13-14H2,1-2H3,(H,15,17)(H,16,18);2*1H.
What are the key properties of 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide?
2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide has a molecular weight of 424.15 g/mol, XLogP of 0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide is sourced from PubChem (CID 88794604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).