sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate

C20H16NNaO4 — CID 139753382

IUPACsodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate
SMILESO=C(NC(Cc1cccc2ccccc12)C(=O)[O-])c1cccc(O)c1.[Na+]
InChIInChI=1S/C20H17NO4.Na/c22-16-9-4-8-15(11-16)19(23)21-18(20(24)25)12-14-7-3-6-13-5-1-2-10-17(13)14;/h1-11,18,22H,12H2,(H,21,23)(H,24,25);/q;+1/p-1
InChIKeyHVAPZGLRYREUOK-UHFFFAOYSA-M
MW357.34 g/mol
LogP-1.36
Rot. Bonds5

About sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate

sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate (PubChem CID 139753382) has the molecular formula C20H16NNaO4 and a molecular weight of 357.34 g/mol. Its IUPAC name is sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namesodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate
PubChem CID139753382
Molecular FormulaC20H16NNaO4
Molecular Weight357.34 g/mol
Exact Mass357.10
IUPAC Namesodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate
SMILESO=C(NC(Cc1cccc2ccccc12)C(=O)[O-])c1cccc(O)c1.[Na+]
InChIInChI=1S/C20H17NO4.Na/c22-16-9-4-8-15(11-16)19(23)21-18(20(24)25)12-14-7-3-6-13-5-1-2-10-17(13)14;/h1-11,18,22H,12H2,(H,21,23)(H,24,25);/q;+1/p-1
InChIKeyHVAPZGLRYREUOK-UHFFFAOYSA-M
XLogP-1.36
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
sodium 3-naphthalen-1-yl-2-(2-phenylpropanoylamino)propanoate
CID 139753409
sodium 2-(4-methylanilino)-3-naphthalen-1-ylpropanoate
CID 139753335
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2S)-2-(azaniumylmethyl)-3-naphthalen-1-ylpropanoate
CID 29061426
(2R)-2-benzamido-3-pyren-1-ylpropanoic acid
CID 101123697
3-chloro-N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
CID 11611586
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2R)-2-(methylamino)-1-naphthalen-1-ylpentan-3-one
CID 142921923
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
CID 59117847
CID 59117847

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate?
The IUPAC name of sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate (CID 139753382) is sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate?
The canonical SMILES for sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate is O=C(NC(Cc1cccc2ccccc12)C(=O)[O-])c1cccc(O)c1.[Na+].
What is the InChIKey of sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate?
The InChIKey is HVAPZGLRYREUOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17NO4.Na/c22-16-9-4-8-15(11-16)19(23)21-18(20(24)25)12-14-7-3-6-13-5-1-2-10-17(13)14;/h1-11,18,22H,12H2,(H,21,23)(H,24,25);/q;+1/p-1.
What are the key properties of sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate?
sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate has a molecular weight of 357.34 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 139753382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).