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

C13H25N3O4 — CID 63065449

IUPAC2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCNC(=O)CN(CC)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H25N3O4/c1-5-14-11(17)8-15(6-2)13(20)16(7-10(3)4)9-12(18)19/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyWCDKRDWNLQPFRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds8

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

2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065449) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065449
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCNC(=O)CN(CC)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H25N3O4/c1-5-14-11(17)8-15(6-2)13(20)16(7-10(3)4)9-12(18)19/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyWCDKRDWNLQPFRJ-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
N-ethyl-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 23588498
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[(2-amino-2-oxoethyl)-[bis(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107438124
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63065449) is 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid is CCNC(=O)CN(CC)C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is WCDKRDWNLQPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-5-14-11(17)8-15(6-2)13(20)16(7-10(3)4)9-12(18)19/h10H,5-9H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).