2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid

C21H22N2O4 — CID 77283479

IUPAC2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid
SMILESCC(Nc1cccc2ccccc12)C(=O)O.O=C(O)CNc1ccccc1
InChIInChI=1S/C13H13NO2.C8H9NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;10-8(11)6-9-7-4-2-1-3-5-7/h2-9,14H,1H3,(H,15,16);1-5,9H,6H2,(H,10,11)
InChIKeyKJOBOTQMXUYAIQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.91
Rot. Bonds6

About 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid

2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid (PubChem CID 77283479) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid
PubChem CID77283479
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid
SMILESCC(Nc1cccc2ccccc12)C(=O)O.O=C(O)CNc1ccccc1
InChIInChI=1S/C13H13NO2.C8H9NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;10-8(11)6-9-7-4-2-1-3-5-7/h2-9,14H,1H3,(H,15,16);1-5,9H,6H2,(H,10,11)
InChIKeyKJOBOTQMXUYAIQ-UHFFFAOYSA-N
XLogP3.91
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
(2R)-2-(1-benzothiophen-3-ylamino)propanoic acid;(2R)-2-(naphthalen-1-ylamino)propanoic acid
CID 71272007
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
2-anilinoacetic acid;hydrazine
CID 67393863
2-(naphthalen-1-ylamino)propan-1-ol
CID 19963404
(2S)-2-[[6,7-di(propanoyloxy)naphthalen-1-yl]amino]propanoic acid;hydrochloride
CID 70550439
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322

Frequently Asked Questions

What is the IUPAC name of 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid?
The IUPAC name of 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid (CID 77283479) is 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid is CC(Nc1cccc2ccccc12)C(=O)O.O=C(O)CNc1ccccc1.
What is the InChIKey of 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid?
The InChIKey is KJOBOTQMXUYAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C8H9NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;10-8(11)6-9-7-4-2-1-3-5-7/h2-9,14H,1H3,(H,15,16);1-5,9H,6H2,(H,10,11).
What are the key properties of 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid?
2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid has a molecular weight of 366.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 77283479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).