2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid

C15H19NO2 — CID 103232434

IUPAC2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
SMILESO=C(O)C(Nc1cccc2c1CCCC2)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)14(11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,14,16H,1-2,4,6,8-9H2,(H,17,18)
InChIKeyMBPAEEUBXAQWKV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid

2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid (PubChem CID 103232434) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
PubChem CID103232434
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
SMILESO=C(O)C(Nc1cccc2c1CCCC2)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)14(11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,14,16H,1-2,4,6,8-9H2,(H,17,18)
InChIKeyMBPAEEUBXAQWKV-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 103232448
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid (CID 103232434) is 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid is O=C(O)C(Nc1cccc2c1CCCC2)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid?
The InChIKey is MBPAEEUBXAQWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)14(11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h3,5,7,11,14,16H,1-2,4,6,8-9H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid?
2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid is sourced from PubChem (CID 103232434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).