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

C10H20N2O6 — CID 114005835

IUPAC(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CCO)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O6/c1-18-7-4-12(3-6-14)10(17)11-8(2-5-13)9(15)16/h8,13-14H,2-7H2,1H3,(H,11,17)(H,15,16)/t8-/m0/s1
InChIKeyUTBZBPXMOGWMNF-QMMMGPOBSA-N
MW264.28 g/mol
LogP-1.53
Rot. Bonds9

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

(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 114005835) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
PubChem CID114005835
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Name(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CCO)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O6/c1-18-7-4-12(3-6-14)10(17)11-8(2-5-13)9(15)16/h8,13-14H,2-7H2,1H3,(H,11,17)(H,15,16)/t8-/m0/s1
InChIKeyUTBZBPXMOGWMNF-QMMMGPOBSA-N
XLogP-1.53
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 107481947
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid (CID 114005835) is (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid is COCCN(CCO)C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is UTBZBPXMOGWMNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O6/c1-18-7-4-12(3-6-14)10(17)11-8(2-5-13)9(15)16/h8,13-14H,2-7H2,1H3,(H,11,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 264.28 g/mol, XLogP of -1.53, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 114005835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).