(2S)-2,5-diaminopentanoic acid;methanol

C6H16N2O3 — CID 87528483

IUPAC(2S)-2,5-diaminopentanoic acid;methanol
SMILESCO.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.CH4O/c6-3-1-2-4(7)5(8)9;1-2/h4H,1-3,6-7H2,(H,8,9);2H,1H3/t4-;/m0./s1
InChIKeyLSQCEVGMOOINIJ-WCCKRBBISA-N
MW164.21 g/mol
LogP-1.25
Rot. Bonds4

About (2S)-2,5-diaminopentanoic acid;methanol

(2S)-2,5-diaminopentanoic acid;methanol (PubChem CID 87528483) has the molecular formula C6H16N2O3 and a molecular weight of 164.21 g/mol. Its IUPAC name is (2S)-2,5-diaminopentanoic acid;methanol.

Molecular Properties

Compound Name(2S)-2,5-diaminopentanoic acid;methanol
PubChem CID87528483
Molecular FormulaC6H16N2O3
Molecular Weight164.21 g/mol
Exact Mass164.12
IUPAC Name(2S)-2,5-diaminopentanoic acid;methanol
SMILESCO.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O2.CH4O/c6-3-1-2-4(7)5(8)9;1-2/h4H,1-3,6-7H2,(H,8,9);2H,1H3/t4-;/m0./s1
InChIKeyLSQCEVGMOOINIJ-WCCKRBBISA-N
XLogP-1.25
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

zinc 2,5-diaminopentanoic acid
CID 56838280
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,5-diaminopentanoic acid;ethane-1,2-diol
CID 174654889
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,7,10-triaminodecanoic acid
CID 141070703
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
CID 158432126
CID 158432126

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentanoic acid;methanol?
The IUPAC name of (2S)-2,5-diaminopentanoic acid;methanol (CID 87528483) is (2S)-2,5-diaminopentanoic acid;methanol.
What is the SMILES notation for (2S)-2,5-diaminopentanoic acid;methanol?
The canonical SMILES for (2S)-2,5-diaminopentanoic acid;methanol is CO.NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diaminopentanoic acid;methanol?
The InChIKey is LSQCEVGMOOINIJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O2.CH4O/c6-3-1-2-4(7)5(8)9;1-2/h4H,1-3,6-7H2,(H,8,9);2H,1H3/t4-;/m0./s1.
What are the key properties of (2S)-2,5-diaminopentanoic acid;methanol?
(2S)-2,5-diaminopentanoic acid;methanol has a molecular weight of 164.21 g/mol, XLogP of -1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentanoic acid;methanol is sourced from PubChem (CID 87528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).