2-amino-3-hydroxypropanoic acid;urea

C4H11N3O4 — CID 90283765

IUPAC2-amino-3-hydroxypropanoic acid;urea
SMILESNC(CO)C(=O)O.NC(N)=O
InChIInChI=1S/C3H7NO3.CH4N2O/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H4,2,3,4)
InChIKeyXONQYDKUFTXPQQ-UHFFFAOYSA-N
MW165.15 g/mol
LogP-2.59
Rot. Bonds2

About 2-amino-3-hydroxypropanoic acid;urea

2-amino-3-hydroxypropanoic acid;urea (PubChem CID 90283765) has the molecular formula C4H11N3O4 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;urea.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;urea
PubChem CID90283765
Molecular FormulaC4H11N3O4
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name2-amino-3-hydroxypropanoic acid;urea
SMILESNC(CO)C(=O)O.NC(N)=O
InChIInChI=1S/C3H7NO3.CH4N2O/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H4,2,3,4)
InChIKeyXONQYDKUFTXPQQ-UHFFFAOYSA-N
XLogP-2.59
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87207256
(2S)-2-amino-3-hydroxypropanoic acid;isocyanic acid
CID 87840009
trisodium;tris((2S)-2-amino-3-hydroxypropanoic acid);borate
CID 173145098
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;urea?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;urea (CID 90283765) is 2-amino-3-hydroxypropanoic acid;urea.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;urea?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;urea is NC(CO)C(=O)O.NC(N)=O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;urea?
The InChIKey is XONQYDKUFTXPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.CH4N2O/c4-2(1-5)3(6)7;2-1(3)4/h2,5H,1,4H2,(H,6,7);(H4,2,3,4).
What are the key properties of 2-amino-3-hydroxypropanoic acid;urea?
2-amino-3-hydroxypropanoic acid;urea has a molecular weight of 165.15 g/mol, XLogP of -2.59, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;urea is sourced from PubChem (CID 90283765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).