(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid

C12H23N3O5 — CID 107826744

IUPAC(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(5-2)10(17)8-14(3)12(20)13-9(6-7-16)11(18)19/h9,16H,4-8H2,1-3H3,(H,13,20)(H,18,19)/t9-/m1/s1
InChIKeyZWLMWKRMSUMHHP-SECBINFHSA-N
MW289.33 g/mol
LogP-0.67
Rot. Bonds8

About (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107826744) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107826744
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(5-2)10(17)8-14(3)12(20)13-9(6-7-16)11(18)19/h9,16H,4-8H2,1-3H3,(H,13,20)(H,18,19)/t9-/m1/s1
InChIKeyZWLMWKRMSUMHHP-SECBINFHSA-N
XLogP-0.67
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826160
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2S)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827294
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2R)-4-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107826407
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid (CID 107826744) is (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid is CCN(CC)C(=O)CN(C)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is ZWLMWKRMSUMHHP-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-4-15(5-2)10(17)8-14(3)12(20)13-9(6-7-16)11(18)19/h9,16H,4-8H2,1-3H3,(H,13,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107826744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).