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

C13H25N3O4 — CID 107438124

IUPAC2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(2)5-15(6-10(3)4)13(20)16(7-11(14)17)8-12(18)19/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyMWJSQURILPSPEF-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.59
Rot. Bonds8

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

2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 107438124) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID107438124
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(C)C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(2)5-15(6-10(3)4)13(20)16(7-11(14)17)8-12(18)19/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyMWJSQURILPSPEF-UHFFFAOYSA-N
XLogP0.59
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[[ethyl(methyl)carbamoyl]-(2-methylpropyl)amino]acetamide
CID 116655061
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-[(2-amino-2-oxoethyl)-[2-cyanopropyl(methyl)carbamoyl]amino]acetic acid
CID 107438398
2-[(2-amino-2-oxoethyl)-[3-hydroxybutyl(methyl)carbamoyl]amino]acetic acid
CID 107439316
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55003903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid (CID 107438124) is 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid is CC(C)CN(CC(C)C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is MWJSQURILPSPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-9(2)5-15(6-10(3)4)13(20)16(7-11(14)17)8-12(18)19/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.59, 8 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)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).