2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid

C10H18N2O4 — CID 64597214

IUPAC2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
SMILESCOCC1CCN(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11(6-9(13)14)10(15)12-4-3-8(5-12)7-16-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyUUNKMZQPELARRO-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.09
Rot. Bonds4

About 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid (PubChem CID 64597214) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
PubChem CID64597214
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
SMILESCOCC1CCN(C(=O)N(C)CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-11(6-9(13)14)10(15)12-4-3-8(5-12)7-16-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyUUNKMZQPELARRO-UHFFFAOYSA-N
XLogP0.09
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
2-[methyl-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]acetic acid
CID 79170563
(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 129370986
2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 81058040
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 79379381
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid (CID 64597214) is 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid is COCC1CCN(C(=O)N(C)CC(=O)O)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid?
The InChIKey is UUNKMZQPELARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11(6-9(13)14)10(15)12-4-3-8(5-12)7-16-2/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid?
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 64597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).