2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

C11H21N3O4 — CID 55123997

IUPAC2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCNC(=O)CN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6-12-8(15)7-13(4)10(18)14(5)11(2,3)9(16)17/h6-7H2,1-5H3,(H,12,15)(H,16,17)
InChIKeyODZXHCRWASWDNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.03
Rot. Bonds5

About 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55123997) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID55123997
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCNC(=O)CN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6-12-8(15)7-13(4)10(18)14(5)11(2,3)9(16)17/h6-7H2,1-5H3,(H,12,15)(H,16,17)
InChIKeyODZXHCRWASWDNE-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
(E)-4-[[2-(ethylamino)-2-oxoethyl]-methylamino]-4-oxobut-2-enoic acid
CID 60948489
N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548617
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62822215
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (CID 55123997) is 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is CCNC(=O)CN(C)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is ODZXHCRWASWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6-12-8(15)7-13(4)10(18)14(5)11(2,3)9(16)17/h6-7H2,1-5H3,(H,12,15)(H,16,17).
What are the key properties of 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55123997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).