2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid

C13H24N2O3 — CID 113308641

IUPAC2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)C1(C)CCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)9-15-10(16)12(3)6-7-14-8-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGUMDYVMBYIFNOB-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds6

About 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 113308641) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID113308641
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)C1(C)CCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)9-15-10(16)12(3)6-7-14-8-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGUMDYVMBYIFNOB-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 66185354
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 64549727
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid (CID 113308641) is 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)C1(C)CCNC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is GUMDYVMBYIFNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)9-15-10(16)12(3)6-7-14-8-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 113308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).