2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid

C7H11NO5 — CID 150718291

IUPAC2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NC(O)(CO)C(=O)O
InChIInChI=1S/C7H11NO5/c1-4(2)5(10)8-7(13,3-9)6(11)12/h9,13H,1,3H2,2H3,(H,8,10)(H,11,12)
InChIKeyJPICVZPFJMZLCH-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.56
Rot. Bonds4

About 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid

2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid (PubChem CID 150718291) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
PubChem CID150718291
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid
SMILESC=C(C)C(=O)NC(O)(CO)C(=O)O
InChIInChI=1S/C7H11NO5/c1-4(2)5(10)8-7(13,3-9)6(11)12/h9,13H,1,3H2,2H3,(H,8,10)(H,11,12)
InChIKeyJPICVZPFJMZLCH-UHFFFAOYSA-N
XLogP-1.56
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-hydroxy-2-methyl-3-(2-methylprop-2-enoylamino)pentanoic acid
CID 54086447
acetic acid;N-[2-(dimethylamino)-1-hydroxypentan-2-yl]-2-methylprop-2-enamide
CID 173428531
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 87578261
bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
CID 53446164
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 87578260
N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107847570
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
2-(2,2-dimethylpropyl)-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 157377719
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
2-acetamido-2-(hydroxymethyl)propanedioic acid
CID 44720603

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The IUPAC name of 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid (CID 150718291) is 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid is C=C(C)C(=O)NC(O)(CO)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
The InChIKey is JPICVZPFJMZLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-4(2)5(10)8-7(13,3-9)6(11)12/h9,13H,1,3H2,2H3,(H,8,10)(H,11,12).
What are the key properties of 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid?
2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid has a molecular weight of 189.17 g/mol, XLogP of -1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2-(2-methylprop-2-enoylamino)propanoic acid is sourced from PubChem (CID 150718291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).