2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid

C15H13NO3 — CID 175036011

IUPAC2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid
SMILESO=C(O)CNC(=O)C=Cc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO3/c17-14(16-10-15(18)19)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyRVHMINGGZCDVEP-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.05
Rot. Bonds4

About 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid

2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid (PubChem CID 175036011) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid
PubChem CID175036011
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid
SMILESO=C(O)CNC(=O)C=Cc1ccc2ccccc2c1
InChIInChI=1S/C15H13NO3/c17-14(16-10-15(18)19)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyRVHMINGGZCDVEP-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
2-[[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387528
2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetic acid
CID 139082096
2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43465441
methyl (2S)-3-hydroxy-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]propanoate
CID 175887307

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid?
The IUPAC name of 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid (CID 175036011) is 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid.
What is the SMILES notation for 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid?
The canonical SMILES for 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid is O=C(O)CNC(=O)C=Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid?
The InChIKey is RVHMINGGZCDVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14(16-10-15(18)19)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid?
2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid has a molecular weight of 255.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid is sourced from PubChem (CID 175036011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).