CID 172849658

C5H12NNaO5P — CID 172849658

IUPAC—
SMILESCCOC(=O)CNCP(=O)(O)O.[Na]
InChIInChI=1S/C5H12NO5P.Na/c1-2-11-5(7)3-6-4-12(8,9)10;/h6H,2-4H2,1H3,(H2,8,9,10);
InChIKeyXWYKDSIRZIVFES-UHFFFAOYSA-N
MW220.12 g/mol
LogP-1.11
Rot. Bonds5

About CID 172849658

CID 172849658 (PubChem CID 172849658) has the molecular formula C5H12NNaO5P and a molecular weight of 220.12 g/mol.

Molecular Properties

Compound NameCID 172849658
PubChem CID172849658
Molecular FormulaC5H12NNaO5P
Molecular Weight220.12 g/mol
Exact Mass220.04
IUPAC Name—
SMILESCCOC(=O)CNCP(=O)(O)O.[Na]
InChIInChI=1S/C5H12NO5P.Na/c1-2-11-5(7)3-6-4-12(8,9)10;/h6H,2-4H2,1H3,(H2,8,9,10);
InChIKeyXWYKDSIRZIVFES-UHFFFAOYSA-N
XLogP-1.11
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[bis(methylsulfanyl)phosphorylmethylamino]acetate
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[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
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[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
ethyl 2-[bis(2-methylpropyl)phosphinothioylmethylamino]acetate
CID 57247651
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
ethyl 2-(2-chloroethylamino)acetate
CID 55302202
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
2-methoxyethanamine;2-(phosphonomethylamino)acetic acid
CID 88798173
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590

Frequently Asked Questions

What is the IUPAC name of CID 172849658?
The IUPAC name of CID 172849658 (CID 172849658) is not available.
What is the SMILES notation for CID 172849658?
The canonical SMILES for CID 172849658 is CCOC(=O)CNCP(=O)(O)O.[Na].
What is the InChIKey of CID 172849658?
The InChIKey is XWYKDSIRZIVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P.Na/c1-2-11-5(7)3-6-4-12(8,9)10;/h6H,2-4H2,1H3,(H2,8,9,10);.
What are the key properties of CID 172849658?
CID 172849658 has a molecular weight of 220.12 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172849658 is sourced from PubChem (CID 172849658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).