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

C8H14N2O3 — CID 79388783

IUPAC2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5-6(2-3-9-5)8(13)10-4-7(11)12/h5-6,9H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyJNELPLHVDMRTGU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.81
Rot. Bonds3

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

2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 79388783) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID79388783
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1NCCC1C(=O)NCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-5-6(2-3-9-5)8(13)10-4-7(11)12/h5-6,9H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyJNELPLHVDMRTGU-UHFFFAOYSA-N
XLogP-0.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 79384720
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 79388783) is 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1NCCC1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is JNELPLHVDMRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-6(2-3-9-5)8(13)10-4-7(11)12/h5-6,9H,2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79388783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).