1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid

C6H15N2O4P — CID 11820419

IUPAC1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
SMILESCCC(NC(=O)[C@@H](C)N)P(=O)(O)O
InChIInChI=1S/C6H15N2O4P/c1-3-5(13(10,11)12)8-6(9)4(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m1/s1
InChIKeyFPHBACTUSXCJET-CNZKWPKMSA-N
MW210.17 g/mol
LogP-0.64
Rot. Bonds4

About 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid

1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid (PubChem CID 11820419) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid.

Molecular Properties

Compound Name1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
PubChem CID11820419
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
SMILESCCC(NC(=O)[C@@H](C)N)P(=O)(O)O
InChIInChI=1S/C6H15N2O4P/c1-3-5(13(10,11)12)8-6(9)4(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m1/s1
InChIKeyFPHBACTUSXCJET-CNZKWPKMSA-N
XLogP-0.64
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-amino-1-[[(2S)-2-aminopropanoyl]amino]-3-oxoheptyl]phosphonic acid
CID 151888138
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
CID 131888538
[(1R)-1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54524014
[1-(2-aminopropanoylamino)-2,2,2-trifluoroethyl]phosphonic acid
CID 85321325
(3R,4R,5R)-3-[[(2S)-2-aminopropanoyl]amino]-4,5-dimethylheptanoic acid
CID 87609587
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
3-[[(2S)-2-aminopentanoyl]amino]-3-[1-[[(2S)-2-aminopropanoyl]amino]ethyl-hydroxyphosphoryl]propanoic acid
CID 54114597
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide
CID 59038627
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid?
The IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid (CID 11820419) is 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid.
What is the SMILES notation for 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid?
The canonical SMILES for 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid is CCC(NC(=O)[C@@H](C)N)P(=O)(O)O.
What is the InChIKey of 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid?
The InChIKey is FPHBACTUSXCJET-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H15N2O4P/c1-3-5(13(10,11)12)8-6(9)4(2)7/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-,5?/m1/s1.
What are the key properties of 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid?
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid has a molecular weight of 210.17 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid is sourced from PubChem (CID 11820419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).