5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid

C11H22N4O4 — CID 63699583

IUPAC5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C)CCN(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-14(2)6-7-15(3)11(19)13-8(10(17)18)4-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyWAVNRDFLBKRULN-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.09
Rot. Bonds8

About 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid (PubChem CID 63699583) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
PubChem CID63699583
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C)CCN(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-14(2)6-7-15(3)11(19)13-8(10(17)18)4-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)(H,13,19)(H,17,18)
InChIKeyWAVNRDFLBKRULN-UHFFFAOYSA-N
XLogP-1.09
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 107831192
5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 81057472
(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830862
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
(2R)-5-amino-2-[[methyl(pentan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830593
(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827833
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61443524

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid (CID 63699583) is 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid is CN(C)CCN(C)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is WAVNRDFLBKRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-14(2)6-7-15(3)11(19)13-8(10(17)18)4-5-9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)(H,13,19)(H,17,18).
What are the key properties of 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 63699583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).