2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate

C9H15N2O5P — CID 165116957

IUPAC2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate
SMILESCc1ccc(OP(=O)(O)O)cc1.NCC(N)=O
InChIInChI=1S/C7H9O4P.C2H6N2O/c1-6-2-4-7(5-3-6)11-12(8,9)10;3-1-2(4)5/h2-5H,1H3,(H2,8,9,10);1,3H2,(H2,4,5)
InChIKeyBEIDYMKBJXCRMH-UHFFFAOYSA-N
MW262.20 g/mol
LogP-0.10
Rot. Bonds3

About 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate

2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate (PubChem CID 165116957) has the molecular formula C9H15N2O5P and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate
PubChem CID165116957
Molecular FormulaC9H15N2O5P
Molecular Weight262.20 g/mol
Exact Mass262.07
IUPAC Name2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate
SMILESCc1ccc(OP(=O)(O)O)cc1.NCC(N)=O
InChIInChI=1S/C7H9O4P.C2H6N2O/c1-6-2-4-7(5-3-6)11-12(8,9)10;3-1-2(4)5/h2-5H,1H3,(H2,8,9,10);1,3H2,(H2,4,5)
InChIKeyBEIDYMKBJXCRMH-UHFFFAOYSA-N
XLogP-0.10
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
[4-(3-amino-2-methyl-3-oxopropyl)phenyl] dihydrogen phosphate
CID 58672481
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069
[4-[(Z)-4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
CID 3034369
[4-(2-methylphenyl)phenyl] dihydrogen phosphate
CID 141033820
(4-but-2-enylphenyl) dihydrogen phosphate
CID 154126287

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate?
The IUPAC name of 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate (CID 165116957) is 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate.
What is the SMILES notation for 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate?
The canonical SMILES for 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate is Cc1ccc(OP(=O)(O)O)cc1.NCC(N)=O.
What is the InChIKey of 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate?
The InChIKey is BEIDYMKBJXCRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O4P.C2H6N2O/c1-6-2-4-7(5-3-6)11-12(8,9)10;3-1-2(4)5/h2-5H,1H3,(H2,8,9,10);1,3H2,(H2,4,5).
What are the key properties of 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate?
2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate has a molecular weight of 262.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;(4-methylphenyl) dihydrogen phosphate is sourced from PubChem (CID 165116957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).