2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid

C15H19NO2 — CID 114096527

IUPAC2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)C(NCC1(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(18)13(11-4-2-1-3-5-11)16-10-15(8-9-15)12-6-7-12/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKeyKPPKDFBXHKXDJA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.59
Rot. Bonds6

About 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid

2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid (PubChem CID 114096527) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
PubChem CID114096527
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)C(NCC1(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(18)13(11-4-2-1-3-5-11)16-10-15(8-9-15)12-6-7-12/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKeyKPPKDFBXHKXDJA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
CID 107164520
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
CID 103268089
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-phenylacetate
CID 81399531
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
CID 103904112
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid (CID 114096527) is 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid is O=C(O)C(NCC1(C2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid?
The InChIKey is KPPKDFBXHKXDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)13(11-4-2-1-3-5-11)16-10-15(8-9-15)12-6-7-12/h1-5,12-13,16H,6-10H2,(H,17,18).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid?
2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 114096527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).