(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid

C8H16N2O5 — CID 107826441

IUPAC(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
SMILESCN(CCO)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(3-5-12)8(15)9-6(2-4-11)7(13)14/h6,11-12H,2-5H2,1H3,(H,9,15)(H,13,14)/t6-/m0/s1
InChIKeyDHYGKPKJPOOLLB-LURJTMIESA-N
MW220.22 g/mol
LogP-1.54
Rot. Bonds6

About (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid

(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid (PubChem CID 107826441) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
PubChem CID107826441
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
SMILESCN(CCO)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(3-5-12)8(15)9-6(2-4-11)7(13)14/h6,11-12H,2-5H2,1H3,(H,9,15)(H,13,14)/t6-/m0/s1
InChIKeyDHYGKPKJPOOLLB-LURJTMIESA-N
XLogP-1.54
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2R)-4-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 107828444
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61206494
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
(2S)-2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827294
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826160
(2R)-4-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107826407
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826744
4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid (CID 107826441) is (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid is CN(CCO)C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The InChIKey is DHYGKPKJPOOLLB-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O5/c1-10(3-5-12)8(15)9-6(2-4-11)7(13)14/h6,11-12H,2-5H2,1H3,(H,9,15)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid has a molecular weight of 220.22 g/mol, XLogP of -1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107826441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).