bis((2R)-2,5-diaminopentanoic acid);formaldehyde

C11H26N4O5 — CID 174922370

IUPACbis((2R)-2,5-diaminopentanoic acid);formaldehyde
SMILESC=O.NCCC[C@@H](N)C(=O)O.NCCC[C@@H](N)C(=O)O
InChIInChI=1S/2C5H12N2O2.CH2O/c2*6-3-1-2-4(7)5(8)9;1-2/h2*4H,1-3,6-7H2,(H,8,9);1H2/t2*4-;/m11./s1
InChIKeyLCTMKDGJLBTWKL-KDAOEQPASA-N
MW294.35 g/mol
LogP-1.91
Rot. Bonds8

About bis((2R)-2,5-diaminopentanoic acid);formaldehyde

bis((2R)-2,5-diaminopentanoic acid);formaldehyde (PubChem CID 174922370) has the molecular formula C11H26N4O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is bis((2R)-2,5-diaminopentanoic acid);formaldehyde.

Molecular Properties

Compound Namebis((2R)-2,5-diaminopentanoic acid);formaldehyde
PubChem CID174922370
Molecular FormulaC11H26N4O5
Molecular Weight294.35 g/mol
Exact Mass294.19
IUPAC Namebis((2R)-2,5-diaminopentanoic acid);formaldehyde
SMILESC=O.NCCC[C@@H](N)C(=O)O.NCCC[C@@H](N)C(=O)O
InChIInChI=1S/2C5H12N2O2.CH2O/c2*6-3-1-2-4(7)5(8)9;1-2/h2*4H,1-3,6-7H2,(H,8,9);1H2/t2*4-;/m11./s1
InChIKeyLCTMKDGJLBTWKL-KDAOEQPASA-N
XLogP-1.91
TPSA195.75 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 5-1.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

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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
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
2,5-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
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709

Frequently Asked Questions

What is the IUPAC name of bis((2R)-2,5-diaminopentanoic acid);formaldehyde?
The IUPAC name of bis((2R)-2,5-diaminopentanoic acid);formaldehyde (CID 174922370) is bis((2R)-2,5-diaminopentanoic acid);formaldehyde.
What is the SMILES notation for bis((2R)-2,5-diaminopentanoic acid);formaldehyde?
The canonical SMILES for bis((2R)-2,5-diaminopentanoic acid);formaldehyde is C=O.NCCC[C@@H](N)C(=O)O.NCCC[C@@H](N)C(=O)O.
What is the InChIKey of bis((2R)-2,5-diaminopentanoic acid);formaldehyde?
The InChIKey is LCTMKDGJLBTWKL-KDAOEQPASA-N. The full InChI is InChI=1S/2C5H12N2O2.CH2O/c2*6-3-1-2-4(7)5(8)9;1-2/h2*4H,1-3,6-7H2,(H,8,9);1H2/t2*4-;/m11./s1.
What are the key properties of bis((2R)-2,5-diaminopentanoic acid);formaldehyde?
bis((2R)-2,5-diaminopentanoic acid);formaldehyde has a molecular weight of 294.35 g/mol, XLogP of -1.91, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-2,5-diaminopentanoic acid);formaldehyde is sourced from PubChem (CID 174922370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).