(2-carboxy-1-hydroxypropan-2-yl)azanium

C4H10NO3+ — CID 163480089

IUPAC(2-carboxy-1-hydroxypropan-2-yl)azanium
SMILESCC([NH3+])(CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/p+1
InChIKeyCDUUKBXTEOFITR-UHFFFAOYSA-O
MW120.13 g/mol
LogP-1.94
Rot. Bonds2

About (2-carboxy-1-hydroxypropan-2-yl)azanium

(2-carboxy-1-hydroxypropan-2-yl)azanium (PubChem CID 163480089) has the molecular formula C4H10NO3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is (2-carboxy-1-hydroxypropan-2-yl)azanium.

Molecular Properties

Compound Name(2-carboxy-1-hydroxypropan-2-yl)azanium
PubChem CID163480089
Molecular FormulaC4H10NO3+
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Name(2-carboxy-1-hydroxypropan-2-yl)azanium
SMILESCC([NH3+])(CO)C(=O)O
InChIInChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/p+1
InChIKeyCDUUKBXTEOFITR-UHFFFAOYSA-O
XLogP-1.94
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-azaniumyl-3-hydroxy-2-methylpropanoate
CID 25202874
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
2-(aziridin-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 150543821
2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 86184670
2,2-dimethylpropane-1,3-diol;tetrakis(2-sulfanylacetic acid)
CID 23499730
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2,2-dimethylpropanoic acid
CID 87781698
(2S)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanoic acid
CID 162549320

Frequently Asked Questions

What is the IUPAC name of (2-carboxy-1-hydroxypropan-2-yl)azanium?
The IUPAC name of (2-carboxy-1-hydroxypropan-2-yl)azanium (CID 163480089) is (2-carboxy-1-hydroxypropan-2-yl)azanium.
What is the SMILES notation for (2-carboxy-1-hydroxypropan-2-yl)azanium?
The canonical SMILES for (2-carboxy-1-hydroxypropan-2-yl)azanium is CC([NH3+])(CO)C(=O)O.
What is the InChIKey of (2-carboxy-1-hydroxypropan-2-yl)azanium?
The InChIKey is CDUUKBXTEOFITR-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/p+1.
What are the key properties of (2-carboxy-1-hydroxypropan-2-yl)azanium?
(2-carboxy-1-hydroxypropan-2-yl)azanium has a molecular weight of 120.13 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-1-hydroxypropan-2-yl)azanium is sourced from PubChem (CID 163480089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).