2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid

C11H21N3O4 — CID 113363699

IUPAC2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-8(10(16)17)13-11(18)12-7-9(15)14(5-2)6-3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyYCNFSMWCHUAKAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.02
Rot. Bonds7

About 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid

2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid (PubChem CID 113363699) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid
PubChem CID113363699
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NCC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-8(10(16)17)13-11(18)12-7-9(15)14(5-2)6-3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyYCNFSMWCHUAKAP-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 113363370
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
2-(dimethylaminocarbamoylamino)butanoic acid
CID 83018515
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 16792440
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 62480257
(2R)-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106039191
(2S)-2-(2-carbamoyloxyethylcarbamoylamino)butanoic acid
CID 83205276
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid (CID 113363699) is 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid is CCC(NC(=O)NCC(=O)N(CC)CC)C(=O)O.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid?
The InChIKey is YCNFSMWCHUAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-8(10(16)17)13-11(18)12-7-9(15)14(5-2)6-3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid?
2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 113363699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).