2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid

C16H21NO3 — CID 79984283

IUPAC2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CCCO1)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H21NO3/c18-16(19)15(17-10-14-2-1-9-20-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,11,14-15,17H,1-4,9-10H2,(H,18,19)
InChIKeyYGOCQPINGRQNLU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid

2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid (PubChem CID 79984283) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
PubChem CID79984283
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCC1CCCO1)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H21NO3/c18-16(19)15(17-10-14-2-1-9-20-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,11,14-15,17H,1-4,9-10H2,(H,18,19)
InChIKeyYGOCQPINGRQNLU-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 114453653
2-(3-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 61347926
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid (CID 79984283) is 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid is O=C(O)C(NCC1CCCO1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid?
The InChIKey is YGOCQPINGRQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)15(17-10-14-2-1-9-20-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,11,14-15,17H,1-4,9-10H2,(H,18,19).
What are the key properties of 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid?
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid is sourced from PubChem (CID 79984283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).