[carbamoyl(propyl)amino]methylphosphonic acid

C5H13N2O4P — CID 87653708

IUPAC[carbamoyl(propyl)amino]methylphosphonic acid
SMILESCCCN(CP(=O)(O)O)C(N)=O
InChIInChI=1S/C5H13N2O4P/c1-2-3-7(5(6)8)4-12(9,10)11/h2-4H2,1H3,(H2,6,8)(H2,9,10,11)
InChIKeyHBQFSKARSUYEAB-UHFFFAOYSA-N
MW196.14 g/mol
LogP-0.09
Rot. Bonds4

About [carbamoyl(propyl)amino]methylphosphonic acid

[carbamoyl(propyl)amino]methylphosphonic acid (PubChem CID 87653708) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is [carbamoyl(propyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[carbamoyl(propyl)amino]methylphosphonic acid
PubChem CID87653708
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name[carbamoyl(propyl)amino]methylphosphonic acid
SMILESCCCN(CP(=O)(O)O)C(N)=O
InChIInChI=1S/C5H13N2O4P/c1-2-3-7(5(6)8)4-12(9,10)11/h2-4H2,1H3,(H2,6,8)(H2,9,10,11)
InChIKeyHBQFSKARSUYEAB-UHFFFAOYSA-N
XLogP-0.09
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
N-(2-amino-2-oxoethyl)-N-propylbutanamide
CID 57237794
[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 162426224
1,1-diethylurea;methanol
CID 88508313
1-butyl-1-dodecylurea
CID 168918855
sodium;carbamothioic S-acid;dipropylcarbamothioic S-acid;hydride
CID 173333839
CID 22358458
CID 22358458
4-amino-N,N-dipropylbutanamide
CID 12835718
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686

Frequently Asked Questions

What is the IUPAC name of [carbamoyl(propyl)amino]methylphosphonic acid?
The IUPAC name of [carbamoyl(propyl)amino]methylphosphonic acid (CID 87653708) is [carbamoyl(propyl)amino]methylphosphonic acid.
What is the SMILES notation for [carbamoyl(propyl)amino]methylphosphonic acid?
The canonical SMILES for [carbamoyl(propyl)amino]methylphosphonic acid is CCCN(CP(=O)(O)O)C(N)=O.
What is the InChIKey of [carbamoyl(propyl)amino]methylphosphonic acid?
The InChIKey is HBQFSKARSUYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-2-3-7(5(6)8)4-12(9,10)11/h2-4H2,1H3,(H2,6,8)(H2,9,10,11).
What are the key properties of [carbamoyl(propyl)amino]methylphosphonic acid?
[carbamoyl(propyl)amino]methylphosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [carbamoyl(propyl)amino]methylphosphonic acid is sourced from PubChem (CID 87653708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).