2,5-diaminopentanoic acid;ethane-1,2-diol

C7H18N2O4 — CID 174654889

IUPAC2,5-diaminopentanoic acid;ethane-1,2-diol
SMILESNCCCC(N)C(=O)O.OCCO
InChIInChI=1S/C5H12N2O2.C2H6O2/c6-3-1-2-4(7)5(8)9;3-1-2-4/h4H,1-3,6-7H2,(H,8,9);3-4H,1-2H2
InChIKeyQWEKFVMRZXLAIC-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.89
Rot. Bonds5

About 2,5-diaminopentanoic acid;ethane-1,2-diol

2,5-diaminopentanoic acid;ethane-1,2-diol (PubChem CID 174654889) has the molecular formula C7H18N2O4 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,5-diaminopentanoic acid;ethane-1,2-diol.

Molecular Properties

Compound Name2,5-diaminopentanoic acid;ethane-1,2-diol
PubChem CID174654889
Molecular FormulaC7H18N2O4
Molecular Weight194.23 g/mol
Exact Mass194.13
IUPAC Name2,5-diaminopentanoic acid;ethane-1,2-diol
SMILESNCCCC(N)C(=O)O.OCCO
InChIInChI=1S/C5H12N2O2.C2H6O2/c6-3-1-2-4(7)5(8)9;3-1-2-4/h4H,1-3,6-7H2,(H,8,9);3-4H,1-2H2
InChIKeyQWEKFVMRZXLAIC-UHFFFAOYSA-N
XLogP-1.89
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56838280
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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
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
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CID 45157533

Frequently Asked Questions

What is the IUPAC name of 2,5-diaminopentanoic acid;ethane-1,2-diol?
The IUPAC name of 2,5-diaminopentanoic acid;ethane-1,2-diol (CID 174654889) is 2,5-diaminopentanoic acid;ethane-1,2-diol.
What is the SMILES notation for 2,5-diaminopentanoic acid;ethane-1,2-diol?
The canonical SMILES for 2,5-diaminopentanoic acid;ethane-1,2-diol is NCCCC(N)C(=O)O.OCCO.
What is the InChIKey of 2,5-diaminopentanoic acid;ethane-1,2-diol?
The InChIKey is QWEKFVMRZXLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6O2/c6-3-1-2-4(7)5(8)9;3-1-2-4/h4H,1-3,6-7H2,(H,8,9);3-4H,1-2H2.
What are the key properties of 2,5-diaminopentanoic acid;ethane-1,2-diol?
2,5-diaminopentanoic acid;ethane-1,2-diol has a molecular weight of 194.23 g/mol, XLogP of -1.89, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminopentanoic acid;ethane-1,2-diol is sourced from PubChem (CID 174654889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).