2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid

C3H9BNO3P — CID 20767733

IUPAC2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid
SMILESCB(O)NC(P)C(=O)O
InChIInChI=1S/C3H9BNO3P/c1-4(8)5-2(9)3(6)7/h2,5,8H,9H2,1H3,(H,6,7)
InChIKeyTUPXHPIXKNUTFP-UHFFFAOYSA-N
MW148.90 g/mol
LogP-1.03
Rot. Bonds3

About 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid

2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid (PubChem CID 20767733) has the molecular formula C3H9BNO3P and a molecular weight of 148.90 g/mol. Its IUPAC name is 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid.

Molecular Properties

Compound Name2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid
PubChem CID20767733
Molecular FormulaC3H9BNO3P
Molecular Weight148.90 g/mol
Exact Mass149.04
IUPAC Name2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid
SMILESCB(O)NC(P)C(=O)O
InChIInChI=1S/C3H9BNO3P/c1-4(8)5-2(9)3(6)7/h2,5,8H,9H2,1H3,(H,6,7)
InChIKeyTUPXHPIXKNUTFP-UHFFFAOYSA-N
XLogP-1.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.90
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-amino-2-[[hydroxy(methyl)boranyl]amino]propanoic acid
CID 59902605
(2S)-2-[[hydroxy(methyl)boranyl]amino]-4-methoxy-4-oxobutanoic acid
CID 59444252
azanium 2-[[carboxy(phosphanyl)methyl]amino]acetate
CID 141414577
2-methoxypropanoic acid;titanium
CID 175177225
2-methoxypropanoic acid;zirconium
CID 174567743
2-amino-3-methylbutanedioic acid
CID 852
methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]boronamidic acid
CID 59743467
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
3-boronooxy-2-methyl-3-oxopropanoic acid
CID 174983225
CID 86589108
CID 86589108
2-methylpropanoic acid
CID 173073412
3-[[hydroxy(methyl)boranyl]amino]-2-[methyl-[6-(prop-1-en-2-ylamino)hexanoyl]amino]propanoic acid
CID 54565022

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid?
The IUPAC name of 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid (CID 20767733) is 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid.
What is the SMILES notation for 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid?
The canonical SMILES for 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid is CB(O)NC(P)C(=O)O.
What is the InChIKey of 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid?
The InChIKey is TUPXHPIXKNUTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BNO3P/c1-4(8)5-2(9)3(6)7/h2,5,8H,9H2,1H3,(H,6,7).
What are the key properties of 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid?
2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid has a molecular weight of 148.90 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(methyl)boranyl]amino]-2-phosphanylacetic acid is sourced from PubChem (CID 20767733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).