2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid

C15H19NO2 — CID 79978602

IUPAC2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccc(C2CC2)cc1)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)14(13-7-8-13)16-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12-14,16H,5-9H2,(H,17,18)
InChIKeyDYJFFILGVPFKEM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.52
Rot. Bonds6

About 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid

2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid (PubChem CID 79978602) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
PubChem CID79978602
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccc(C2CC2)cc1)C1CC1
InChIInChI=1S/C15H19NO2/c17-15(18)14(13-7-8-13)16-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12-14,16H,5-9H2,(H,17,18)
InChIKeyDYJFFILGVPFKEM-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-methylphenyl)methylamino]-2-cyclopropylacetic acid
CID 66479518
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
methyl 2-(benzylamino)-2-cyclopropylacetate
CID 61310357
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
(2S)-2-cyclohexyl-2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]acetic acid
CID 149301343
2-[(4-cyclopentylphenyl)methylamino]pentanoic acid
CID 122039745
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid (CID 79978602) is 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid is O=C(O)C(NCc1ccc(C2CC2)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid?
The InChIKey is DYJFFILGVPFKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)14(13-7-8-13)16-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12-14,16H,5-9H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid?
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid is sourced from PubChem (CID 79978602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).