(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid

C11H23N3O4 — CID 114007114

IUPAC(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCCN(CC)CCNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-3-14(4-2)8-7-13-11(18)12-6-5-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1
InChIKeyUOSOMDKPXQDELJ-VIFPVBQESA-N
MW261.32 g/mol
LogP-0.54
Rot. Bonds9

About (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid

(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid (PubChem CID 114007114) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
PubChem CID114007114
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
SMILESCCN(CC)CCNC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H23N3O4/c1-3-14(4-2)8-7-13-11(18)12-6-5-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1
InChIKeyUOSOMDKPXQDELJ-VIFPVBQESA-N
XLogP-0.54
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.54
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
(2S)-2-hydroxy-4-(octylcarbamoylamino)butanoic acid
CID 107840685
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 114007416
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid (CID 114007114) is (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid is CCN(CC)CCNC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is UOSOMDKPXQDELJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O4/c1-3-14(4-2)8-7-13-11(18)12-6-5-9(15)10(16)17/h9,15H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)/t9-/m0/s1.
What are the key properties of (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid?
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 261.32 g/mol, XLogP of -0.54, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).