3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid

C10H18N2O3 — CID 64700424

IUPAC3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,7-8(13)14)11-9(15)12-5-3-4-6-12/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGIKJGCOTQNYTCU-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.05
Rot. Bonds3

About 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid

3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid (PubChem CID 64700424) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
PubChem CID64700424
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,7-8(13)14)11-9(15)12-5-3-4-6-12/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyGIKJGCOTQNYTCU-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64700072
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
3-methyl-3-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 64699564
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidine-1-carboxamide
CID 104594555

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid (CID 64700424) is 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid is CC(C)(CC(=O)O)NC(=O)N1CCCC1.
What is the InChIKey of 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid?
The InChIKey is GIKJGCOTQNYTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,7-8(13)14)11-9(15)12-5-3-4-6-12/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid?
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 64700424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).