2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid

C8H15N3O4 — CID 43445725

IUPAC2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-10(2)6(12)5-11(3)8(15)9-4-7(13)14/h4-5H2,1-3H3,(H,9,15)(H,13,14)
InChIKeyBGESLWDRIPILQQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.20
Rot. Bonds4

About 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid

2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid (PubChem CID 43445725) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
PubChem CID43445725
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-10(2)6(12)5-11(3)8(15)9-4-7(13)14/h4-5H2,1-3H3,(H,9,15)(H,13,14)
InChIKeyBGESLWDRIPILQQ-UHFFFAOYSA-N
XLogP-1.20
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 61197489
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid
CID 61187828
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
3-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]benzoic acid
CID 61198628

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid (CID 43445725) is 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid is CN(C)C(=O)CN(C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
The InChIKey is BGESLWDRIPILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-10(2)6(12)5-11(3)8(15)9-4-7(13)14/h4-5H2,1-3H3,(H,9,15)(H,13,14).
What are the key properties of 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid?
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 43445725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).