2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid

C14H19NO2 — CID 103256389

IUPAC2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
SMILESCc1ccccc1CCNC(C(=O)O)C1CC1
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-11(10)8-9-15-13(14(16)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3,(H,16,17)
InChIKeyNWZAHXXKFWBZSF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds6

About 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid

2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid (PubChem CID 103256389) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
PubChem CID103256389
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
SMILESCc1ccccc1CCNC(C(=O)O)C1CC1
InChIInChI=1S/C14H19NO2/c1-10-4-2-3-5-11(10)8-9-15-13(14(16)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3,(H,16,17)
InChIKeyNWZAHXXKFWBZSF-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
CID 62694882
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
2-cyclopropyl-2-[(4-methylthiophen-3-yl)methylamino]acetic acid
CID 103258667
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
CID 65059821
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid (CID 103256389) is 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid is Cc1ccccc1CCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid?
The InChIKey is NWZAHXXKFWBZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-2-3-5-11(10)8-9-15-13(14(16)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid?
2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 103256389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).