2-aminopentanedioic acid;N,N-dimethylformamide

C8H16N2O5 — CID 174735498

IUPAC2-aminopentanedioic acid;N,N-dimethylformamide
SMILESCN(C)C=O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H7NO/c6-3(5(9)10)1-2-4(7)8;1-4(2)3-5/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H3
InChIKeyNAWBZSJOETWBAZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.03
Rot. Bonds5

About 2-aminopentanedioic acid;N,N-dimethylformamide

2-aminopentanedioic acid;N,N-dimethylformamide (PubChem CID 174735498) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-aminopentanedioic acid;N,N-dimethylformamide.

Molecular Properties

Compound Name2-aminopentanedioic acid;N,N-dimethylformamide
PubChem CID174735498
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-aminopentanedioic acid;N,N-dimethylformamide
SMILESCN(C)C=O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H7NO/c6-3(5(9)10)1-2-4(7)8;1-4(2)3-5/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H3
InChIKeyNAWBZSJOETWBAZ-UHFFFAOYSA-N
XLogP-1.03
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-aminopentanedioic acid;formamide
CID 87175197
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;N,N-dimethylformamide?
The IUPAC name of 2-aminopentanedioic acid;N,N-dimethylformamide (CID 174735498) is 2-aminopentanedioic acid;N,N-dimethylformamide.
What is the SMILES notation for 2-aminopentanedioic acid;N,N-dimethylformamide?
The canonical SMILES for 2-aminopentanedioic acid;N,N-dimethylformamide is CN(C)C=O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;N,N-dimethylformamide?
The InChIKey is NAWBZSJOETWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C3H7NO/c6-3(5(9)10)1-2-4(7)8;1-4(2)3-5/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H3.
What are the key properties of 2-aminopentanedioic acid;N,N-dimethylformamide?
2-aminopentanedioic acid;N,N-dimethylformamide has a molecular weight of 220.22 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;N,N-dimethylformamide is sourced from PubChem (CID 174735498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).