2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid

C11H17N3O3 — CID 66129427

IUPAC2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
SMILESCCCn1cncc1C(C(=O)O)N(C=O)CC
InChIInChI=1S/C11H17N3O3/c1-3-5-14-7-12-6-9(14)10(11(16)17)13(4-2)8-15/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyPVIIWYSEFRGPRF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.90
Rot. Bonds7

About 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid

2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid (PubChem CID 66129427) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
PubChem CID66129427
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
SMILESCCCn1cncc1C(C(=O)O)N(C=O)CC
InChIInChI=1S/C11H17N3O3/c1-3-5-14-7-12-6-9(14)10(11(16)17)13(4-2)8-15/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyPVIIWYSEFRGPRF-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
2-[formyl(propyl)amino]-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66162024
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66133106
3-propylimidazole-4-carboxylic acid
CID 45082087
2,2-difluoro-3-hydroxy-3-(3-propylimidazol-4-yl)propanoic acid
CID 66131850
2-methyl-4-oxo-4-(3-propylimidazol-4-yl)butanoic acid
CID 66142305
2-(2-methylpropylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130024
(3S)-3-acetamido-3-(3-propylimidazol-4-yl)propanoic acid
CID 66133349
2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
CID 79584172
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
methyl 3-(ethylamino)-3-(3-propylimidazol-4-yl)propanoate
CID 66131265

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid (CID 66129427) is 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid is CCCn1cncc1C(C(=O)O)N(C=O)CC.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid?
The InChIKey is PVIIWYSEFRGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-14-7-12-6-9(14)10(11(16)17)13(4-2)8-15/h6-8,10H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid?
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid is sourced from PubChem (CID 66129427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).