2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid

C10H19N3O4 — CID 61197296

IUPAC2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
SMILESCNC(=O)CN(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-7(2)13(6-9(15)16)10(17)12(4)5-8(14)11-3/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyQOJVSPMWKNOTNI-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.42
Rot. Bonds5

About 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid

2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 61197296) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID61197296
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
SMILESCNC(=O)CN(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19N3O4/c1-7(2)13(6-9(15)16)10(17)12(4)5-8(14)11-3/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyQOJVSPMWKNOTNI-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 62827512
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 55257505
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
CID 112662894
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid (CID 61197296) is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid is CNC(=O)CN(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is QOJVSPMWKNOTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)13(6-9(15)16)10(17)12(4)5-8(14)11-3/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid?
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61197296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).