(2S)-2,5-diaminopentanoyl bromide

C5H11BrN2O — CID 87080053

IUPAC(2S)-2,5-diaminopentanoyl bromide
SMILESNCCC[C@H](N)C(=O)Br
InChIInChI=1S/C5H11BrN2O/c6-5(9)4(8)2-1-3-7/h4H,1-3,7-8H2/t4-/m0/s1
InChIKeyWMFWUTMUFYRDGG-BYPYZUCNSA-N
MW195.06 g/mol
LogP-0.03
Rot. Bonds4

About (2S)-2,5-diaminopentanoyl bromide

(2S)-2,5-diaminopentanoyl bromide (PubChem CID 87080053) has the molecular formula C5H11BrN2O and a molecular weight of 195.06 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoyl bromide.

Molecular Properties

Compound Name(2S)-2,5-diaminopentanoyl bromide
PubChem CID87080053
Molecular FormulaC5H11BrN2O
Molecular Weight195.06 g/mol
Exact Mass194.01
IUPAC Name(2S)-2,5-diaminopentanoyl bromide
SMILESNCCC[C@H](N)C(=O)Br
InChIInChI=1S/C5H11BrN2O/c6-5(9)4(8)2-1-3-7/h4H,1-3,7-8H2/t4-/m0/s1
InChIKeyWMFWUTMUFYRDGG-BYPYZUCNSA-N
XLogP-0.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
2,5-diaminopentanoic acid;ethane-1,2-diol
CID 174654889
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
fluoromethyl (2S)-2,5-diaminopentanoate
CID 22811750

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoyl bromide?
The IUPAC name of (2S)-2,5-diaminopentanoyl bromide (CID 87080053) is (2S)-2,5-diaminopentanoyl bromide.
What is the SMILES notation for (2S)-2,5-diaminopentanoyl bromide?
The canonical SMILES for (2S)-2,5-diaminopentanoyl bromide is NCCC[C@H](N)C(=O)Br.
What is the InChIKey of (2S)-2,5-diaminopentanoyl bromide?
The InChIKey is WMFWUTMUFYRDGG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11BrN2O/c6-5(9)4(8)2-1-3-7/h4H,1-3,7-8H2/t4-/m0/s1.
What are the key properties of (2S)-2,5-diaminopentanoyl bromide?
(2S)-2,5-diaminopentanoyl bromide has a molecular weight of 195.06 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentanoyl bromide is sourced from PubChem (CID 87080053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).