2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid

C10H14N2O4 — CID 106414745

IUPAC2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCn1cccc1CNC(=O)COCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-12-4-2-3-8(12)5-11-9(13)6-16-7-10(14)15/h2-4H,5-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyBRJPSPRDKLCULZ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.26
Rot. Bonds6

About 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 106414745) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID106414745
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
SMILESCn1cccc1CNC(=O)COCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-12-4-2-3-8(12)5-11-9(13)6-16-7-10(14)15/h2-4H,5-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyBRJPSPRDKLCULZ-UHFFFAOYSA-N
XLogP-0.26
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid (CID 106414745) is 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid is Cn1cccc1CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is BRJPSPRDKLCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-4-2-3-8(12)5-11-9(13)6-16-7-10(14)15/h2-4H,5-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106414745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).