3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid

C11H21N3O4 — CID 115428599

IUPAC3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-12-8(15)6-14(4)10(18)13-7-11(2,3)9(16)17/h5-7H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyJCEFVMQFDPJGAT-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.13
Rot. Bonds6

About 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid

3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115428599) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115428599
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCNC(=O)CN(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-12-8(15)6-14(4)10(18)13-7-11(2,3)9(16)17/h5-7H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyJCEFVMQFDPJGAT-UHFFFAOYSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 55123997
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428434
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957
(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541817
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid (CID 115428599) is 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid is CCNC(=O)CN(C)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is JCEFVMQFDPJGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-12-8(15)6-14(4)10(18)13-7-11(2,3)9(16)17/h5-7H2,1-4H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).