2-amino-3-hydroxybutanoic acid;urea

C5H13N3O4 — CID 174908114

IUPAC2-amino-3-hydroxybutanoic acid;urea
SMILESCC(O)C(N)C(=O)O.NC(N)=O
InChIInChI=1S/C4H9NO3.CH4N2O/c1-2(6)3(5)4(7)8;2-1(3)4/h2-3,6H,5H2,1H3,(H,7,8);(H4,2,3,4)
InChIKeyQFJTVYJDLVUWLS-UHFFFAOYSA-N
MW179.18 g/mol
LogP-2.20
Rot. Bonds2

About 2-amino-3-hydroxybutanoic acid;urea

2-amino-3-hydroxybutanoic acid;urea (PubChem CID 174908114) has the molecular formula C5H13N3O4 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;urea.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;urea
PubChem CID174908114
Molecular FormulaC5H13N3O4
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-amino-3-hydroxybutanoic acid;urea
SMILESCC(O)C(N)C(=O)O.NC(N)=O
InChIInChI=1S/C4H9NO3.CH4N2O/c1-2(6)3(5)4(7)8;2-1(3)4/h2-3,6H,5H2,1H3,(H,7,8);(H4,2,3,4)
InChIKeyQFJTVYJDLVUWLS-UHFFFAOYSA-N
XLogP-2.20
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
CID 87185843
CID 87185843
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;urea?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;urea (CID 174908114) is 2-amino-3-hydroxybutanoic acid;urea.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;urea?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;urea is CC(O)C(N)C(=O)O.NC(N)=O.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;urea?
The InChIKey is QFJTVYJDLVUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.CH4N2O/c1-2(6)3(5)4(7)8;2-1(3)4/h2-3,6H,5H2,1H3,(H,7,8);(H4,2,3,4).
What are the key properties of 2-amino-3-hydroxybutanoic acid;urea?
2-amino-3-hydroxybutanoic acid;urea has a molecular weight of 179.18 g/mol, XLogP of -2.20, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;urea is sourced from PubChem (CID 174908114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).