2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid

C9H16N2O3 — CID 63005212

IUPAC2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyUSIOMMLAFWARIQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.42
Rot. Bonds3

About 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid

2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid (PubChem CID 63005212) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
PubChem CID63005212
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyUSIOMMLAFWARIQ-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-acetylpyrrolidine-3-carboxamide
CID 69120322
2-methyl-2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 110837238
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid (CID 63005212) is 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid is CC(C)(NC(=O)C1CCNC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid?
The InChIKey is USIOMMLAFWARIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,8(13)14)11-7(12)6-3-4-10-5-6/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid?
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 63005212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).