3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane

C9H20NO5P — CID 174763260

IUPAC3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)O.P
InChIInChI=1S/C9H17NO5.H3P/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3
InChIKeyRQTOKNYQEDLHQH-UHFFFAOYSA-N
MW253.23 g/mol
LogP-0.99
Rot. Bonds6

About 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane

3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane (PubChem CID 174763260) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane.

Molecular Properties

Compound Name3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
PubChem CID174763260
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC Name3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)O.P
InChIInChI=1S/C9H17NO5.H3P/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3
InChIKeyRQTOKNYQEDLHQH-UHFFFAOYSA-N
XLogP-0.99
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
CID 172837539
CID 172837539
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
tricalcium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid);bis(oxygen(2-))
CID 173212028
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 129285625
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
CID 174492859
calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 173090351
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane?
The IUPAC name of 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane (CID 174763260) is 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane.
What is the SMILES notation for 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane?
The canonical SMILES for 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane is CC(C)(CO)C(O)C(=O)NCCC(=O)O.P.
What is the InChIKey of 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane?
The InChIKey is RQTOKNYQEDLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5.H3P/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);1H3.
What are the key properties of 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane?
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane has a molecular weight of 253.23 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane is sourced from PubChem (CID 174763260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).