2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

C14H14N2O2 — CID 140981325

IUPAC2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
SMILES[H]/N=C(\N)c1ccc2ccc(C(C)C(=O)O)cc2c1
InChIInChI=1S/C14H14N2O2/c1-8(14(17)18)10-4-2-9-3-5-11(13(15)16)7-12(9)6-10/h2-8H,1H3,(H3,15,16)(H,17,18)
InChIKeyVNVRVVDSUWJFMQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds3

About 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid (PubChem CID 140981325) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
PubChem CID140981325
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
SMILES[H]/N=C(\N)c1ccc2ccc(C(C)C(=O)O)cc2c1
InChIInChI=1S/C14H14N2O2/c1-8(14(17)18)10-4-2-9-3-5-11(13(15)16)7-12(9)6-10/h2-8H,1H3,(H3,15,16)(H,17,18)
InChIKeyVNVRVVDSUWJFMQ-UHFFFAOYSA-N
XLogP2.31
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
2-(6-carbamimidoylnaphthalen-2-yl)hexanoic acid
CID 172759822
2-(6-carbamimidoylnaphthalen-2-yl)-2-phenylacetic acid;methanesulfonic acid
CID 162176375
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
2-phthalazin-6-ylpropanoic acid
CID 117290775
2-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide;2-hydroxypropanoic acid
CID 159604373
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboximidamide
CID 83881571
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466

Frequently Asked Questions

What is the IUPAC name of 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid (CID 140981325) is 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid is [H]/N=C(\N)c1ccc2ccc(C(C)C(=O)O)cc2c1.
What is the InChIKey of 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid?
The InChIKey is VNVRVVDSUWJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8(14(17)18)10-4-2-9-3-5-11(13(15)16)7-12(9)6-10/h2-8H,1H3,(H3,15,16)(H,17,18).
What are the key properties of 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid?
2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 140981325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).