2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid

C10H16N2O5 — CID 102779851

IUPAC2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
SMILESCC1CCNC1C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-5-2-3-11-8(5)9(15)12-6(10(16)17)4-7(13)14/h5-6,8,11H,2-4H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyHUWKFNDXZCEDOH-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.97
Rot. Bonds5

About 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid

2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid (PubChem CID 102779851) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
PubChem CID102779851
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
SMILESCC1CCNC1C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-5-2-3-11-8(5)9(15)12-6(10(16)17)4-7(13)14/h5-6,8,11H,2-4H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyHUWKFNDXZCEDOH-UHFFFAOYSA-N
XLogP-0.97
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
3-(1H-imidazol-5-yl)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107864239
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102777521
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2S)-4-methoxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 79384306
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 102780024
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid (CID 102779851) is 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid is CC1CCNC1C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid?
The InChIKey is HUWKFNDXZCEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-5-2-3-11-8(5)9(15)12-6(10(16)17)4-7(13)14/h5-6,8,11H,2-4H2,1H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid?
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid has a molecular weight of 244.25 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 102779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).