2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid

C10H17N3O4 — CID 107438105

IUPAC2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CC1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-12(4-7-2-3-7)10(17)13(5-8(11)14)6-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyBPJXOMQWVRGBPJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 107438105) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID107438105
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CC1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-12(4-7-2-3-7)10(17)13(5-8(11)14)6-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyBPJXOMQWVRGBPJ-UHFFFAOYSA-N
XLogP-0.68
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 107438771
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[(2-amino-2-oxoethyl)-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 107438237
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 107439170
2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 112662552

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid (CID 107438105) is 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid is CN(CC1CC1)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is BPJXOMQWVRGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-12(4-7-2-3-7)10(17)13(5-8(11)14)6-9(15)16/h7H,2-6H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.68, 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)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).