(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid

C16H15NO5 — CID 54513086

IUPAC(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H15NO5/c18-14(19)8-7-13(16(21)22)17-15(20)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1
InChIKeyYKNDIAJZDLLIDP-ZDUSSCGKSA-N
MW301.30 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid

(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid (PubChem CID 54513086) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
PubChem CID54513086
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H15NO5/c18-14(19)8-7-13(16(21)22)17-15(20)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1
InChIKeyYKNDIAJZDLLIDP-ZDUSSCGKSA-N
XLogP1.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
(4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
CID 3037347
2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
(2S)-2-[[4-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]benzoyl]amino]pentanedioic acid
CID 134141686
2-[(3-hydroxy-4-methylbenzoyl)amino]pentanedioic acid
CID 60830283
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
CID 143212332
2-[(3-chloro-4-iodobenzoyl)amino]pentanedioic acid
CID 103218940
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]pentanedioic acid
CID 61153615
(2S)-2-[[(1S)-1-formyloxy-5-(naphthalene-2-carbonylamino)pentoxy]carbonylamino]pentanedioic acid
CID 154619061

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid (CID 54513086) is (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid?
The InChIKey is YKNDIAJZDLLIDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15NO5/c18-14(19)8-7-13(16(21)22)17-15(20)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,17,20)(H,18,19)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid?
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid has a molecular weight of 301.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid is sourced from PubChem (CID 54513086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).