[(1S)-1-aminopropyl]phosphonic acid

C3H10NO3P — CID 6994862

IUPAC[(1S)-1-aminopropyl]phosphonic acid
SMILESCC[C@@H](N)P(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyDELJNDWGTWHHFA-VKHMYHEASA-N
MW139.09 g/mol
LogP-0.14
Rot. Bonds2

About [(1S)-1-aminopropyl]phosphonic acid

[(1S)-1-aminopropyl]phosphonic acid (PubChem CID 6994862) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is [(1S)-1-aminopropyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-1-aminopropyl]phosphonic acid
PubChem CID6994862
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Name[(1S)-1-aminopropyl]phosphonic acid
SMILESCC[C@@H](N)P(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyDELJNDWGTWHHFA-VKHMYHEASA-N
XLogP-0.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.14
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

1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
1-aminopropylphosphonic acid;2-[[2-(phosphonoamino)acetyl]amino]propanoic acid
CID 20976354
1-aminopropyl(propoxy)phosphinic acid;butane
CID 88813664
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
CID 148549360
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
1-hydroxypropylphosphonic acid
CID 12625401
1-dimethylphosphorylpropan-1-ol
CID 59649408
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
butan-2-ylphosphonic acid;phosphonoformic acid
CID 159567547
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-aminopropyl]phosphonic acid?
The IUPAC name of [(1S)-1-aminopropyl]phosphonic acid (CID 6994862) is [(1S)-1-aminopropyl]phosphonic acid.
What is the SMILES notation for [(1S)-1-aminopropyl]phosphonic acid?
The canonical SMILES for [(1S)-1-aminopropyl]phosphonic acid is CC[C@@H](N)P(=O)(O)O.
What is the InChIKey of [(1S)-1-aminopropyl]phosphonic acid?
The InChIKey is DELJNDWGTWHHFA-VKHMYHEASA-N. The full InChI is InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1.
What are the key properties of [(1S)-1-aminopropyl]phosphonic acid?
[(1S)-1-aminopropyl]phosphonic acid has a molecular weight of 139.09 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-aminopropyl]phosphonic acid is sourced from PubChem (CID 6994862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).