2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid

C18H19NO2 — CID 79972990

IUPAC2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H19NO2/c20-18(21)17(19-12-13-4-2-1-3-5-13)16-10-8-15(9-11-16)14-6-7-14/h1-5,8-11,14,17,19H,6-7,12H2,(H,20,21)
InChIKeyDFAYGTFJTCIJGB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds6

About 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid

2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid (PubChem CID 79972990) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
PubChem CID79972990
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(NCc1ccccc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H19NO2/c20-18(21)17(19-12-13-4-2-1-3-5-13)16-10-8-15(9-11-16)14-6-7-14/h1-5,8-11,14,17,19H,6-7,12H2,(H,20,21)
InChIKeyDFAYGTFJTCIJGB-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 79984283
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511834
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid?
The IUPAC name of 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid (CID 79972990) is 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid.
What is the SMILES notation for 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid?
The canonical SMILES for 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid is O=C(O)C(NCc1ccccc1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid?
The InChIKey is DFAYGTFJTCIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)17(19-12-13-4-2-1-3-5-13)16-10-8-15(9-11-16)14-6-7-14/h1-5,8-11,14,17,19H,6-7,12H2,(H,20,21).
What are the key properties of 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid?
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid has a molecular weight of 281.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid is sourced from PubChem (CID 79972990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).