2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid

C10H19N3O4 — CID 55003671

IUPAC2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)4-13(5-8(11)14)10(17)12(3)6-9(15)16/h7H,4-6H2,1-3H3,(H2,11,14)(H,15,16)
InChIKeyJDBQVKMELSPSSA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.43
Rot. Bonds6

About 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid (PubChem CID 55003671) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
PubChem CID55003671
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(2)4-13(5-8(11)14)10(17)12(3)6-9(15)16/h7H,4-6H2,1-3H3,(H2,11,14)(H,15,16)
InChIKeyJDBQVKMELSPSSA-UHFFFAOYSA-N
XLogP-0.43
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065094
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
CID 107438398
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61198991
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid (CID 55003671) is 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid is CC(C)CN(CC(N)=O)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is JDBQVKMELSPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(2)4-13(5-8(11)14)10(17)12(3)6-9(15)16/h7H,4-6H2,1-3H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid?
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 55003671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).