2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid

C10H17N3O4 — CID 55003311

IUPAC2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-12(5-8(14)11-7-3-4-7)10(17)13(2)6-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyCZQJQVMGMRJZMK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.67
Rot. Bonds5

About 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid

2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid (PubChem CID 55003311) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
PubChem CID55003311
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-12(5-8(14)11-7-3-4-7)10(17)13(2)6-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyCZQJQVMGMRJZMK-UHFFFAOYSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79283180
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2R,5S)-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944423
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43579064
2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide
CID 88963295

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid (CID 55003311) is 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid?
The InChIKey is CZQJQVMGMRJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-12(5-8(14)11-7-3-4-7)10(17)13(2)6-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid?
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 55003311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).