5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride

C11H14ClNO5 — CID 171250288

IUPAC5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(O)c(C(=O)O)c1.Cl
InChIInChI=1S/C11H13NO5.ClH/c1-17-10(14)5-8(12)6-2-3-9(13)7(4-6)11(15)16;/h2-4,8,13H,5,12H2,1H3,(H,15,16);1H/t8-;/m1./s1
InChIKeyLGHMCQGHGPEOFO-DDWIOCJRSA-N
MW275.69 g/mol
LogP1.08
Rot. Bonds4

About 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride

5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride (PubChem CID 171250288) has the molecular formula C11H14ClNO5 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
PubChem CID171250288
Molecular FormulaC11H14ClNO5
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC Name5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1ccc(O)c(C(=O)O)c1.Cl
InChIInChI=1S/C11H13NO5.ClH/c1-17-10(14)5-8(12)6-2-3-9(13)7(4-6)11(15)16;/h2-4,8,13H,5,12H2,1H3,(H,15,16);1H/t8-;/m1./s1
InChIKeyLGHMCQGHGPEOFO-DDWIOCJRSA-N
XLogP1.08
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023
5-(1-amino-2-sulfanylethyl)-2-hydroxybenzoic acid
CID 142463282
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
5-[(1S)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
CID 171231278
5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211673
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride (CID 171250288) is 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride is COC(=O)C[C@@H](N)c1ccc(O)c(C(=O)O)c1.Cl.
What is the InChIKey of 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride?
The InChIKey is LGHMCQGHGPEOFO-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H13NO5.ClH/c1-17-10(14)5-8(12)6-2-3-9(13)7(4-6)11(15)16;/h2-4,8,13H,5,12H2,1H3,(H,15,16);1H/t8-;/m1./s1.
What are the key properties of 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride?
5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride has a molecular weight of 275.69 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 171250288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).