[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride

C14H22ClN2O5P — CID 45261472

IUPAC[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride
SMILESCOC(=O)CCP(=O)(O)C(Cc1ccccc1)NC(=O)CN.Cl
InChIInChI=1S/C14H21N2O5P.ClH/c1-21-14(18)7-8-22(19,20)13(16-12(17)10-15)9-11-5-3-2-4-6-11;/h2-6,13H,7-10,15H2,1H3,(H,16,17)(H,19,20);1H
InChIKeyGOAOYFPBTDRALU-UHFFFAOYSA-N
MW364.77 g/mol
LogP0.89
Rot. Bonds8

About [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride

[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride (PubChem CID 45261472) has the molecular formula C14H22ClN2O5P and a molecular weight of 364.77 g/mol. Its IUPAC name is [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Name[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride
PubChem CID45261472
Molecular FormulaC14H22ClN2O5P
Molecular Weight364.77 g/mol
Exact Mass364.10
IUPAC Name[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride
SMILESCOC(=O)CCP(=O)(O)C(Cc1ccccc1)NC(=O)CN.Cl
InChIInChI=1S/C14H21N2O5P.ClH/c1-21-14(18)7-8-22(19,20)13(16-12(17)10-15)9-11-5-3-2-4-6-11;/h2-6,13H,7-10,15H2,1H3,(H,16,17)(H,19,20);1H
InChIKeyGOAOYFPBTDRALU-UHFFFAOYSA-N
XLogP0.89
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 120705550
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CID 10075431
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 70603822
[1-[(2-chloroacetyl)amino]-2-phenylethyl]phosphonic acid
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[1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenylethyl]-[3-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phosphinic acid
CID 20832568
methyl 10-amino-11-phenylundecanoate;hydrochloride
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2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
methyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 70568445
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
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Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride?
The IUPAC name of [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride (CID 45261472) is [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride.
What is the SMILES notation for [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride?
The canonical SMILES for [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride is COC(=O)CCP(=O)(O)C(Cc1ccccc1)NC(=O)CN.Cl.
What is the InChIKey of [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride?
The InChIKey is GOAOYFPBTDRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N2O5P.ClH/c1-21-14(18)7-8-22(19,20)13(16-12(17)10-15)9-11-5-3-2-4-6-11;/h2-6,13H,7-10,15H2,1H3,(H,16,17)(H,19,20);1H.
What are the key properties of [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride?
[1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride has a molecular weight of 364.77 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminoacetyl)amino]-2-phenylethyl]-(3-methoxy-3-oxopropyl)phosphinic acid;hydrochloride is sourced from PubChem (CID 45261472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).