(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid

C11H13NO6 — CID 107833807

IUPAC(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(O)c(C(=O)NC[C@H](O)C(=O)O)c1
InChIInChI=1S/C11H13NO6/c1-18-6-2-3-8(13)7(4-6)10(15)12-5-9(14)11(16)17/h2-4,9,13-14H,5H2,1H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeySUWFKHCRBMBZRJ-VIFPVBQESA-N
MW255.23 g/mol
LogP-0.42
Rot. Bonds5

About (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid (PubChem CID 107833807) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
PubChem CID107833807
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(O)c(C(=O)NC[C@H](O)C(=O)O)c1
InChIInChI=1S/C11H13NO6/c1-18-6-2-3-8(13)7(4-6)10(15)12-5-9(14)11(16)17/h2-4,9,13-14H,5H2,1H3,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeySUWFKHCRBMBZRJ-VIFPVBQESA-N
XLogP-0.42
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107721718
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid (CID 107833807) is (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid is COc1ccc(O)c(C(=O)NC[C@H](O)C(=O)O)c1.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid?
The InChIKey is SUWFKHCRBMBZRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO6/c1-18-6-2-3-8(13)7(4-6)10(15)12-5-9(14)11(16)17/h2-4,9,13-14H,5H2,1H3,(H,12,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 107833807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).