bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde

C13H28N2O5 — CID 174851375

IUPACbis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
SMILESC=O.CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/2C6H13NO2.CH2O/c2*1-3-4(2)5(7)6(8)9;1-2/h2*4-5H,3,7H2,1-2H3,(H,8,9);1H2/t2*4-,5-;/m00./s1
InChIKeyOHJSNZVMSRVSFZ-WFGSYIHQSA-N
MW292.38 g/mol
LogP0.70
Rot. Bonds6

About bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde

bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde (PubChem CID 174851375) has the molecular formula C13H28N2O5 and a molecular weight of 292.38 g/mol. Its IUPAC name is bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde.

Molecular Properties

Compound Namebis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
PubChem CID174851375
Molecular FormulaC13H28N2O5
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Namebis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
SMILESC=O.CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/2C6H13NO2.CH2O/c2*1-3-4(2)5(7)6(8)9;1-2/h2*4-5H,3,7H2,1-2H3,(H,8,9);1H2/t2*4-,5-;/m00./s1
InChIKeyOHJSNZVMSRVSFZ-WFGSYIHQSA-N
XLogP0.70
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681

Frequently Asked Questions

What is the IUPAC name of bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde?
The IUPAC name of bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde (CID 174851375) is bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde.
What is the SMILES notation for bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde?
The canonical SMILES for bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde is C=O.CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde?
The InChIKey is OHJSNZVMSRVSFZ-WFGSYIHQSA-N. The full InChI is InChI=1S/2C6H13NO2.CH2O/c2*1-3-4(2)5(7)6(8)9;1-2/h2*4-5H,3,7H2,1-2H3,(H,8,9);1H2/t2*4-,5-;/m00./s1.
What are the key properties of bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde?
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde has a molecular weight of 292.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde is sourced from PubChem (CID 174851375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).