2-amino-N-fluoropentanediamide

C5H10FN3O2 — CID 145127573

IUPAC2-amino-N-fluoropentanediamide
SMILESNC(=O)CCC(N)C(=O)NF
InChIInChI=1S/C5H10FN3O2/c6-9-5(11)3(7)1-2-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)
InChIKeyIRCTVKNQKAMLCQ-UHFFFAOYSA-N
MW163.15 g/mol
LogP-1.42
Rot. Bonds4

About 2-amino-N-fluoropentanediamide

2-amino-N-fluoropentanediamide (PubChem CID 145127573) has the molecular formula C5H10FN3O2 and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-amino-N-fluoropentanediamide.

Molecular Properties

Compound Name2-amino-N-fluoropentanediamide
PubChem CID145127573
Molecular FormulaC5H10FN3O2
Molecular Weight163.15 g/mol
Exact Mass163.08
IUPAC Name2-amino-N-fluoropentanediamide
SMILESNC(=O)CCC(N)C(=O)NF
InChIInChI=1S/C5H10FN3O2/c6-9-5(11)3(7)1-2-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)
InChIKeyIRCTVKNQKAMLCQ-UHFFFAOYSA-N
XLogP-1.42
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide
CID 91533089
methyl (2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoate
CID 57114090
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 14767397
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18483490

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-fluoropentanediamide?
The IUPAC name of 2-amino-N-fluoropentanediamide (CID 145127573) is 2-amino-N-fluoropentanediamide.
What is the SMILES notation for 2-amino-N-fluoropentanediamide?
The canonical SMILES for 2-amino-N-fluoropentanediamide is NC(=O)CCC(N)C(=O)NF.
What is the InChIKey of 2-amino-N-fluoropentanediamide?
The InChIKey is IRCTVKNQKAMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3O2/c6-9-5(11)3(7)1-2-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11).
What are the key properties of 2-amino-N-fluoropentanediamide?
2-amino-N-fluoropentanediamide has a molecular weight of 163.15 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-fluoropentanediamide is sourced from PubChem (CID 145127573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).