2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid

C12H20N2O7 — CID 62956267

IUPAC2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H20N2O7/c1-4-5-13(6-9(15)16)12(19)14(7-10(17)20-2)8-11(18)21-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyQAWBCTCRQVBVGO-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.45
Rot. Bonds8

About 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid

2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid (PubChem CID 62956267) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
PubChem CID62956267
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H20N2O7/c1-4-5-13(6-9(15)16)12(19)14(7-10(17)20-2)8-11(18)21-3/h4-8H2,1-3H3,(H,15,16)
InChIKeyQAWBCTCRQVBVGO-UHFFFAOYSA-N
XLogP-0.45
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
2-[acetyl(propyl)amino]acetic acid
CID 23279438

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid (CID 62956267) is 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid?
The InChIKey is QAWBCTCRQVBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O7/c1-4-5-13(6-9(15)16)12(19)14(7-10(17)20-2)8-11(18)21-3/h4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid?
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid has a molecular weight of 304.30 g/mol, XLogP of -0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 62956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).