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

C8H14N2O3 — CID 63143746

IUPAC2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCNC1
InChIInChI=1S/C8H14N2O3/c1-8(2-3-9-5-8)7(13)10-4-6(11)12/h9H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyWRSHAAQPOINKRH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.81
Rot. Bonds3

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

2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 63143746) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID63143746
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCNC1
InChIInChI=1S/C8H14N2O3/c1-8(2-3-9-5-8)7(13)10-4-6(11)12/h9H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyWRSHAAQPOINKRH-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

N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119755038
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119692049
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 113308641
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid (CID 63143746) is 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is CC1(C(=O)NCC(=O)O)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is WRSHAAQPOINKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2-3-9-5-8)7(13)10-4-6(11)12/h9H,2-5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[(3-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-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63143746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).