(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid

C13H28NO7P — CID 172807423

IUPAC(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid
SMILESCCCCCC(C)CCC(=O)O.NC(=O)C(O)CP(=O)(O)O
InChIInChI=1S/C10H20O2.C3H8NO5P/c1-3-4-5-6-9(2)7-8-10(11)12;4-3(6)2(5)1-10(7,8)9/h9H,3-8H2,1-2H3,(H,11,12);2,5H,1H2,(H2,4,6)(H2,7,8,9)
InChIKeyRRYBZVZDWWZEBI-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.08
Rot. Bonds10

About (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid

(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid (PubChem CID 172807423) has the molecular formula C13H28NO7P and a molecular weight of 341.34 g/mol. Its IUPAC name is (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid
PubChem CID172807423
Molecular FormulaC13H28NO7P
Molecular Weight341.34 g/mol
Exact Mass341.16
IUPAC Name(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid
SMILESCCCCCC(C)CCC(=O)O.NC(=O)C(O)CP(=O)(O)O
InChIInChI=1S/C10H20O2.C3H8NO5P/c1-3-4-5-6-9(2)7-8-10(11)12;4-3(6)2(5)1-10(7,8)9/h9H,3-8H2,1-2H3,(H,11,12);2,5H,1H2,(H2,4,6)(H2,7,8,9)
InChIKeyRRYBZVZDWWZEBI-UHFFFAOYSA-N
XLogP1.08
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
CID 172699305
4-methyltetradecanoic acid
CID 23454322
4,8,12-trimethylnonadecanoic acid
CID 141295751
4,8-dimethyldodecanoic acid
CID 5282617
ethane;4-methyloctanoic acid
CID 171811977
4-methyloctanoic acid;nonanoic acid
CID 161166549
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid?
The IUPAC name of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid (CID 172807423) is (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid.
What is the SMILES notation for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid?
The canonical SMILES for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid is CCCCCC(C)CCC(=O)O.NC(=O)C(O)CP(=O)(O)O.
What is the InChIKey of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid?
The InChIKey is RRYBZVZDWWZEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C3H8NO5P/c1-3-4-5-6-9(2)7-8-10(11)12;4-3(6)2(5)1-10(7,8)9/h9H,3-8H2,1-2H3,(H,11,12);2,5H,1H2,(H2,4,6)(H2,7,8,9).
What are the key properties of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid?
(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid has a molecular weight of 341.34 g/mol, XLogP of 1.08, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid is sourced from PubChem (CID 172807423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).