3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid

C16H19NO3 — CID 106892333

IUPAC3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C16H19NO3/c18-15(19)7-8-17(14-5-6-14)16(20)13-9-11-3-1-2-4-12(11)10-13/h1-4,13-14H,5-10H2,(H,18,19)
InChIKeySSFXEQOIRWMBJI-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.87
Rot. Bonds5

About 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid

3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid (PubChem CID 106892333) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid
PubChem CID106892333
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C16H19NO3/c18-15(19)7-8-17(14-5-6-14)16(20)13-9-11-3-1-2-4-12(11)10-13/h1-4,13-14H,5-10H2,(H,18,19)
InChIKeySSFXEQOIRWMBJI-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
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3-[acetyl(cyclopropyl)amino]propanoic acid
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N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid (CID 106892333) is 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)C1Cc2ccccc2C1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid?
The InChIKey is SSFXEQOIRWMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(19)7-8-17(14-5-6-14)16(20)13-9-11-3-1-2-4-12(11)10-13/h1-4,13-14H,5-10H2,(H,18,19).
What are the key properties of 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid?
3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,3-dihydro-1H-indene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106892333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).