(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride

C5H15Cl2N2O4P — CID 11499981

IUPAC(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
SMILESCl.Cl.NCP(=O)(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H13N2O4P.2ClH/c6-3-12(10,11)2-1-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9)(H,10,11);2*1H/t4-;;/m0../s1
InChIKeyMNFMFCIMPIAWKD-FHNDMYTFSA-N
MW269.06 g/mol
LogP-0.18
Rot. Bonds5

About (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride

(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride (PubChem CID 11499981) has the molecular formula C5H15Cl2N2O4P and a molecular weight of 269.06 g/mol. Its IUPAC name is (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
PubChem CID11499981
Molecular FormulaC5H15Cl2N2O4P
Molecular Weight269.06 g/mol
Exact Mass268.01
IUPAC Name(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
SMILESCl.Cl.NCP(=O)(O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H13N2O4P.2ClH/c6-3-12(10,11)2-1-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9)(H,10,11);2*1H/t4-;;/m0../s1
InChIKeyMNFMFCIMPIAWKD-FHNDMYTFSA-N
XLogP-0.18
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 5-0.18
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

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
2,4-diaminobutanoic acid
CID 158725018
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride?
The IUPAC name of (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride (CID 11499981) is (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride?
The canonical SMILES for (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride is Cl.Cl.NCP(=O)(O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride?
The InChIKey is MNFMFCIMPIAWKD-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H13N2O4P.2ClH/c6-3-12(10,11)2-1-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9)(H,10,11);2*1H/t4-;;/m0../s1.
What are the key properties of (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride?
(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride has a molecular weight of 269.06 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride is sourced from PubChem (CID 11499981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).