(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid

C10H21N3O4 — CID 107827546

IUPAC(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCN(C)CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-3-13(2)6-5-11-10(17)12-8(4-7-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeyZSGGVKFXQVZHNY-MRVPVSSYSA-N
MW247.29 g/mol
LogP-0.93
Rot. Bonds8

About (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107827546) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
PubChem CID107827546
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESCCN(C)CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-3-13(2)6-5-11-10(17)12-8(4-7-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1
InChIKeyZSGGVKFXQVZHNY-MRVPVSSYSA-N
XLogP-0.93
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827547
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346
(2S)-2-[2-[butan-2-yl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 114134201
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
4-hydroxy-2-(pent-3-ynylcarbamoylamino)butanoic acid
CID 116644911
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid (CID 107827546) is (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid is CCN(C)CCNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is ZSGGVKFXQVZHNY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-3-13(2)6-5-11-10(17)12-8(4-7-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,15,16)(H2,11,12,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.93, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107827546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).