4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

C10H19N3O5 — CID 114007416

IUPAC4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESCN(C)C(=O)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-13(2)8(15)4-6-12-10(18)11-5-3-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,16,17)(H2,11,12,18)
InChIKeyXNGIWEJUGAPAEW-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.40
Rot. Bonds7

About 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid

4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 114007416) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
PubChem CID114007416
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
SMILESCN(C)C(=O)CCNC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-13(2)8(15)4-6-12-10(18)11-5-3-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,16,17)(H2,11,12,18)
InChIKeyXNGIWEJUGAPAEW-UHFFFAOYSA-N
XLogP-1.40
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 107566702
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
(2S)-4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007621
(2S)-2-hydroxy-4-[(2-methyl-2-methylsulfanylpropyl)carbamoylamino]butanoic acid
CID 107841097
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79204974
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid (CID 114007416) is 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is CN(C)C(=O)CCNC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is XNGIWEJUGAPAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-13(2)8(15)4-6-12-10(18)11-5-3-7(14)9(16)17/h7,14H,3-6H2,1-2H3,(H,16,17)(H2,11,12,18).
What are the key properties of 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid?
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).