2-phosphorosopropanamide;hydrate

C3H8NO3P — CID 174974761

IUPAC2-phosphorosopropanamide;hydrate
SMILESCC(P=O)C(N)=O.O
InChIInChI=1S/C3H6NO2P.H2O/c1-2(7-6)3(4)5;/h2H,1H3,(H2,4,5);1H2
InChIKeyMQQNQRMPHWAACI-UHFFFAOYSA-N
MW137.08 g/mol
LogP-0.67
Rot. Bonds2

About 2-phosphorosopropanamide;hydrate

2-phosphorosopropanamide;hydrate (PubChem CID 174974761) has the molecular formula C3H8NO3P and a molecular weight of 137.08 g/mol. Its IUPAC name is 2-phosphorosopropanamide;hydrate.

Molecular Properties

Compound Name2-phosphorosopropanamide;hydrate
PubChem CID174974761
Molecular FormulaC3H8NO3P
Molecular Weight137.08 g/mol
Exact Mass137.02
IUPAC Name2-phosphorosopropanamide;hydrate
SMILESCC(P=O)C(N)=O.O
InChIInChI=1S/C3H6NO2P.H2O/c1-2(7-6)3(4)5;/h2H,1H3,(H2,4,5);1H2
InChIKeyMQQNQRMPHWAACI-UHFFFAOYSA-N
XLogP-0.67
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phosphorosopropanamide
CID 174589319
2,3-dimethylbutanediamide
CID 55281411
2-(propan-2-ylideneamino)propanamide
CID 55290813
2-aminopropanamide;ethane
CID 156828005
2-aminopropanamide;dihydrochloride
CID 19963402
2-methylpropanamide;bis(propan-2-one)
CID 174404145
(2S)-2-fluoropropanamide
CID 129374964
sodium 3-amino-2-methyl-3-oxopropanoate
CID 141024014
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
dimethylphosphane;2-hydroxypropanamide
CID 174842276
cyclopentane;2-methylpropanamide
CID 142523492
(2R)-2-methyl-3-sulfanylbutanamide
CID 177036922

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosopropanamide;hydrate?
The IUPAC name of 2-phosphorosopropanamide;hydrate (CID 174974761) is 2-phosphorosopropanamide;hydrate.
What is the SMILES notation for 2-phosphorosopropanamide;hydrate?
The canonical SMILES for 2-phosphorosopropanamide;hydrate is CC(P=O)C(N)=O.O.
What is the InChIKey of 2-phosphorosopropanamide;hydrate?
The InChIKey is MQQNQRMPHWAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2P.H2O/c1-2(7-6)3(4)5;/h2H,1H3,(H2,4,5);1H2.
What are the key properties of 2-phosphorosopropanamide;hydrate?
2-phosphorosopropanamide;hydrate has a molecular weight of 137.08 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosopropanamide;hydrate is sourced from PubChem (CID 174974761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).